9.69e-20

                                      298
                                   9.66e-20

                                      312
                                   6.22e-20

                                      326
                                   2.16e-20

                                      340
                                   2.52e-21

                                      354
                                   2.20e-22
                                      285
                                   9.80e-20

                                      299
                                   9.54e-20

                                      313
                                   5.93e-20

                                      327
                                   1.95e-20

                                      341
                                   2.12e-21

                                      355
                                   1.93e-22
                                      286
                                   9.89e-20

                                      300
                                   9.41e-20

                                      314
                                   5.61e-20

                                      328
                                   1.73e-20

                                      342
                                   1.76e-21

                                      356
                                   1.38e-22
                                      287
                                   9.98e-20

                                      301
                                   9.25e-20

                                      315
                                   5.28e-20

                                      329
                                   1.52e-20

                                      343
                                   1.45e-21

                                      357
                                   1.34e-22
                                      288
                                   1.00e-19

                                      302
                                   9.04e-20

                                      316
                                   4.92e-20

                                      330
                                   1.33e-20

                                      344
                                   1.20e-21

                                      358
                                   9.17e-23
                                      289
                                   1.01e-19

                                      303
                                   8.80e-20

                                      317
                                   4.57e-20

                                      331
                                   1.14e-20

                                      345
                                   1.03e-21

                                      359
                                   1.55e-22
                                      290
                                   1.02e-19

                                      304
                                   8.53e-20

                                      318
                                   4.22e-20

                                      332
                                   9.79e-21

                                      346
                                   8.87e-22

                                      360
                                   1.28e-22
                                      291
                                   1.02e-19

                                      305
                                   8.24e-20

                                      319
                                   3.89e-20

                                      333
                                   8.32e-21

                                      347
                                   7.57e-22

                                      365
                                       -
                                      292
                                   1.02e-19

                                      306
                                   7.94e-20

                                      320
                                   3.58e-20

                                      334
                                   7.07e-21

                                      348
                                   6.42e-22

                                      293
                                   1.02e-19

                                      307
                                   7.63e-20

                                      321
                                   3.30e-20

                                      335
                                   5.98e-21

                                      349
                                   5.47e-22

Wavelengths in nm and absorption cross-sections in cm[-2]. NASA (2006) recommendation for absorption cross-sections. Unit quantum yields assumed.

Table A-7.	Listing of reactions and rate parameters used for the lumped model species in the fixed parameter version of the lumped SAPRC-07 mechanism.

Label
Reaction and Products [a]
                              Rate Parameters [b]

                                    k(300)
                                       A
                                      Ea
                                       B

Reactions Added to the Standard Base Mechanism

BL01
ALK1 + OH = xHO2 + RO2C + xCCHO + yROOH
                                   2.54E-13
                                   1.34E-12
                                     0.992
                                      2.0

BL02
ALK2 + OH = #.965 xHO2 + #.965 RO2C + #.035 RO2XC + #.035 zRNO3 + #.261 xRCHO + #.704 xACET + yROOH + #-.105 XC
                                   1.11E-12
                                   1.49E-12
                                     0.173
                                      2.0

BL03
ALK3 + OH = #.695 xHO2 + #.236 xTBUO + #1.253 RO2C + #.07 RO2XC + #.07 zRNO3 + #.026 xHCHO + #.445 xCCHO + #.122 xRCHO + #.024 xACET + #.332 xMEK + #.983 yROOH + #.017 yR6OOH + #-.046 XC
                                   2.31E-12
                                   1.51E-12
                                    -0.251

BL04
ALK4 + OH = #.83 xHO2 + #.01 xMEO2 + #.011 xMECO3 + #1.763 RO2C + #.149 RO2XC + #.149 zRNO3 + #.002 xCO + #.029 xHCHO + #.438 xCCHO + #.236 xRCHO + #.426 xACET + #.106 xMEK + #.146 xPROD2 + yR6OOH + #-.119 XC
                                   4.34E-12
                                   3.75E-12
                                    -0.088

BL05
ALK5 + OH = #.647 xHO2 + #1.605 RO2C + #.353 RO2XC + #.353 zRNO3 + #.04 xHCHO + #.106 xCCHO + #.209 xRCHO + #.071 xACET + #.086 xMEK + #.407 xPROD2 + yR6OOH + #2.004 XC
                                   9.40E-12
                                   2.70E-12
                                    -0.744

BL06
OLE1 + OH = #.904 xHO2 + #.001 xMEO2 + #1.138 RO2C + #.095 RO2XC + #.095 zRNO3 + #.7 xHCHO + #.301 xCCHO + #.47 xRCHO + #.005 xACET + #.026 xMACR + #.008 xMVK + #.006 xIPRD + #.119 xPROD2 + #.413 yROOH + #.587 yR6OOH + #.822 XC
                                   3.29E-11
                                   6.18E-12
                                    -0.996

BL07
OLE1 + O3 = #.116 HO2 + #.04 xHO2 + #.193 OH + #.104 MEO2 + #.063 RO2C + #.004 RO2XC + #.004 zRNO3 + #.368 CO + #.125 CO2 + #.5 HCHO + #.147 CCHO + #.007 xCCHO + #.353 RCHO + #.031 xRCHO + #.002 xACET + #.006 MEK + #.185 HCOOH + #.022 CCOOH + #.112 RCOOH + #.189 PROD2 + #.007 yROOH + #.037 yR6OOH + #.69 XC
                                   1.09E-17
                                   3.15E-15
                                     3.379

BL08
OLE1 + NO3 = #.824 xHO2 + #1.312 RO2C + #.176 RO2XC + #.176 zRNO3 + #.009 xCCHO + #.002 xRCHO + #.024 xACET + #.546 xRNO3 + #.413 yROOH + #.587 yR6OOH + #.454 XN + #.572 XC
                                   1.44E-14
                                   4.73E-13
                                     2.081

BL09
OLE1 + O3P = #.45 RCHO + #.437 MEK + #.113 PROD2 + #1.224 XC
                                   5.02E-12
                                   1.49E-11
                                     0.648

BL10
OLE2 + OH = #.914 xHO2 + #.966 RO2C + #.086 RO2XC + #.086 zRNO3 + #.209 xHCHO + #.788 xCCHO + #.481 xRCHO + #.136 xACET + #.076 xMEK + #.027 xMACR + #.002 xMVK + #.037 xIPRD + #.022 xPROD2 + #.357 yROOH + #.643 yR6OOH + #.111 XC
                                   6.42E-11
                                   1.26E-11
                                    -0.969

BL11
OLE2 + O3 = #.093 HO2 + #.039 xHO2 + #.423 OH + #.29 MEO2 + #.147 xMECO3 + #.008 xRCO3 + #.2 RO2C + #.003 RO2XC + #.003 zRNO3 + #.297 CO + #.162 CO2 + #.152 HCHO + #.108 xHCHO + #.428 CCHO + #.067 xCCHO + #.315 RCHO + #.018 xRCHO + #.048 ACET + #.031 MEK + #.001 xMEK + #.033 HCOOH + #.061 CCOOH + #.222 RCOOH + #.028 MACR + #.021 MVK + #.042 PROD2 + #.069 yROOH + #.128 yR6OOH + #.125 XC
                                   1.24E-16
                                   8.14E-15
                                     2.494

BL12
OLE2 + NO3 = #.423 xHO2 + #.409 xNO2 + #.033 xMEO2 + #1.185 RO2C + #.136 RO2XC + #.136 zRNO3 + #.074 xHCHO + #.546 xCCHO + #.154 xRCHO + #.11 xACET + #.002 xMEK + #.026 xMVK + #.007 xIPRD + #.322 xRNO3 + #.357 yROOH + #.643 yR6OOH + #.269 XN + #.114 XC
                                   7.85E-13
                                   2.20E-13
                                    -0.759

BL13
OLE2 + O3P = #.014 HO2 + #.007 xHO2 + #.007 xMACO3 + #.013 RO2C + #.001 RO2XC + #.001 zRNO3 + #.006 xCO + #.074 RCHO + #.709 MEK + #.006 xMACR + #.202 PROD2 + #.014 yROOH + #.666 XC
                                   2.07E-11
                                   1.43E-11
                                    -0.220

BL14
ARO1 + OH = #.166 HO2 + #.482 xHO2 + #.284 OH + #.482 RO2C + #.068 RO2XC + #.068 zRNO3 + #.218 xGLY + #.138 xMGLY + #.166 CRES + #.049 xBALD + #.164 xAFG1 + #.193 xAFG2 + #.284 AFG3 + #.077 xPROD2 + #.403 yRAOOH + #.147 yR6OOH + #.002 XC
                                   6.15E-12

BL15
ARO2 + OH = #.108 HO2 + #.58 xHO2 + #.202 OH + #.58 RO2C + #.11 RO2XC + #.11 zRNO3 + #.116 xGLY + #.286 xMGLY + #.104 xBACL + #.108 CRES + #.039 xBALD + #.217 xAFG1 + #.21 xAFG2 + #.202 AFG3 + #.08 xAFG3 + #.035 xPROD2 + #.089 yR6OOH + #.601 yRAOOH + #1.486 XC
                                   2.57E-11

BL16
TERP + OH = #.759 xHO2 + #.042 xRCO3 + #1.147 RO2C + #.2 RO2XC + #.2 zRNO3 + #.001 xCO + #.264 xHCHO + #.533 xRCHO + #.036 xACET + #.005 xMEK + #.009 xMGLY + #.014 xBACL + #.002 xMVK + #.001 xIPRD + #.255 xPROD2 + yR6OOH + #5.056 XC
                                   7.98E-11
                                   1.87E-11
                                    -0.864

BL17
TERP + O3 = #.052 HO2 + #.067 xHO2 + #.585 OH + #.126 xMECO3 + #.149 xRCO3 + #.875 RO2C + #.203 RO2XC + #.203 zRNO3 + #.166 CO + #.019 xCO + #.045 CO2 + #.079 HCHO + #.15 xHCHO + #.22 xRCHO + #.165 xACET + #.004 MEK + #.107 HCOOH + #.043 RCOOH + #.001 xGLY + #.002 xMGLY + #.055 xBACL + #.001 xMACR + #.001 xIPRD + #.409 PROD2 + #.545 yR6OOH + #3.526 XC
                                   6.99E-17
                                   9.57E-16
                                     1.560

BL18
TERP + NO3 = #.162 xHO2 + #.421 xNO2 + #.019 xRCO3 + #1.509 RO2C + #.397 RO2XC + #.397 zRNO3 + #.01 xCO + #.017 xHCHO + #.001 xCCHO + #.509 xRCHO + #.175 xACET + #.001 xMGLY + #.003 xMACR + #.001 xMVK + #.002 xIPRD + #.163 xRNO3 + yR6OOH + #.416 XN + #4.473 XC
                                   6.53E-12
                                   1.28E-12
                                    -0.974

BL19
TERP + O3P = #.147 RCHO + #.853 PROD2 + #4.441 XC
                                   3.71E-11

Reactions Added to the Base Mechanism with Chlorine Chemistry

BC01
ALK1 + CL = xHO2 + RO2C + HCL + xCCHO + yROOH
                                   5.95E-11
                                   8.30E-11
                                     0.199

BC02
ALK2 + CL = #.97 xHO2 + #.97 RO2C + #.03 RO2XC + #.03 zRNO3 + HCL + #.482 xRCHO + #.488 xACET + yROOH + #-.09 XC
                                   1.37E-10
                                   1.20E-10
                                    -0.079

BC03
ALK3 + CL = #.835 xHO2 + #.094 xTBUO + #1.361 RO2C + #.07 RO2XC + #.07 zRNO3 + HCL + #.078 xHCHO + #.34 xCCHO + #.343 xRCHO + #.075 xACET + #.253 xMEK + #.983 yROOH + #.017 yR6OOH + #.18 XC
                                   1.86E-10

BC04
ALK4 + CL = #.827 xHO2 + #.003 xMEO2 + #.004 xMECO3 + #1.737 RO2C + #.165 RO2XC + #.165 zRNO3 + HCL + #.003 xCO + #.034 xHCHO + #.287 xCCHO + #.412 xRCHO + #.247 xACET + #.076 xMEK + #.13 xPROD2 + yR6OOH + #.327 XC
                                   2.63E-10

BC05
ALK5 + CL = #.647 xHO2 + #1.541 RO2C + #.352 RO2XC + #.352 zRNO3 + HCL + #.022 xHCHO + #.08 xCCHO + #.258 xRCHO + #.044 xACET + #.041 xMEK + #.378 xPROD2 + yR6OOH + #2.368 XC
                                   4.21E-10

BC06
OLE1 + CL = #.902 xHO2 + #1.42 RO2C + #.098 RO2XC + #.098 zRNO3 + #.308 HCL + #.025 xHCHO + #.146 xCCHO + #.051 xRCHO + #.188 xMACR + #.014 xMVK + #.027 xIPRD + #.225 xCLCCHO + #.396 xCLACET + #.413 yROOH + #.587 yR6OOH + #1.361 XC
                                   3.55E-10

BC07
OLE2 + CL = #.447 xHO2 + #.448 xCL + #.001 xMEO2 + #1.514 RO2C + #.104 RO2XC + #.104 zRNO3 + #.263 HCL + #.228 xHCHO + #.361 xCCHO + #.3 xRCHO + #.081 xACET + #.04 xMEK + #.049 xMACR + #.055 xMVK + #.179 xIPRD + #.012 xCLCCHO + #.18 xCLACET + #.357 yROOH + #.643 yR6OOH + #.247 XC
                                   3.83E-10

BC08
ARO1 + CL = #.88 xHO2 + #.88 RO2C + #.12 RO2XC + #.12 zRNO3 + #.671 xBALD + #.21 xPROD2 + #.323 XC
                                   1.00E-10

BC09
ARO2 + CL = #.842 xHO2 + #.842 RO2C + #.158 RO2XC + #.158 zRNO3 + #.618 xBALD + #.224 xPROD2 + #2.382 XC
                                   2.18E-10

BC10
TERP + CL = #.252 xHO2 + #.068 xCL + #.034 xMECO3 + #.05 xRCO3 + #.016 xMACO3 + #2.258 RO2C + #.582 RO2XC + #.582 zRNO3 + #.548 HCL + #.035 xCO + #.158 xHCHO + #.185 xRCHO + #.274 xACET + #.007 xGLY + #.003 xBACL + #.003 xMVK + #.158 xIPRD + #.006 xAFG1 + #.006 xAFG2 + #.001 xAFG3 + #.109 xCLCCHO + yR6OOH + #3.543 XC
                                   5.46E-10

[a]	Format of reaction listing: "=" separates reactants from products; "#number" indicates stoichiometric coefficient, "#coefficient {product list}" means that the stoichiometric coefficient is applied to all the products listed.
[b]	The rate constants are given by k(T) = A · e-Ea/RT, where the units of k and A are cm[3] molec-1 s-1, Ea are kcal mol[-1], T is [o]K, and R=0.0019872 kcal mol[-1] deg[-1].

Appendix B. Mechanism and Reactivity Listings for Individual VOCs
This Appendix contains the tables documenting the mechanisms and giving the calculated atmospheric reactivity values and associated codes for the individual VOCs for which mechanistic assignments have been made. These tables are also available in electronic form in an Excel file, as discussed in Appendix D. Because of their size, Table B-2 , Table B-3, Table B-10, and Table B-11 are only available in this electronic format.

Table B-1.	Listing of detailed model species, their representation in the model, and calculated atmospheric reactivity values in various reactivity scales
Description
                                      CAS
                                      MWt
                                   Codes [a]
                          Reactivity (gm O3 / gm VOC)

                                      Rep
                                      k a
                                     Expt
                                     Bias
                                      Unc
                                      MIR
                                     MOIR
                                     EBIR
                                     Base

                                    Alkanes
methane
74-82-8
                                     16.04
                                      Exp
                                       1

                                       0
                                                                              6

                                     .0144
                                     .0085
                                     .0060
                                 .0073+-.0016
ethane
74-84-0
                                     30.07
                                      Exp
                                       1
                                       3
                                       0
                                                                              1

                                     0.28
                                     0.196
                                     0.142
                                 0.167+-0.045
propane
74-98-6
                                     44.10
                                      Exp
                                       1
                                       3
                                       0
                                                                              1

                                     0.49
                                     0.34
                                     0.25
                                  0.29+-0.07
cyclopropane
75-19-4
                                     42.08
                                      Exp
                                       1

                                       0
                                                                              6

                                     0.087
                                     0.061
                                     0.043
                                 0.051+-0.015
n-butane
106-97-8
                                     58.12
                                      Exp
                                       1
                                       2
                                       0
                                                                              1

                                     1.15
                                     0.76
                                     0.52
                                  0.64+-0.17
isobutane
75-28-5
                                     58.12
                                      Exp
                                       1
                                       3
                                       0
                                                                              2

                                     1.23
                                     0.73
                                     0.50
                                  0.62+-0.14
cyclobutane
287-23-0
                                     56.11
                                      Exp
                                       1

                                       0
                                                                              6

                                     1.20
                                     0.80
                                     0.54
                                  0.66+-0.22
n-pentane
109-66-0
                                     72.15
                                      Exp
                                       1

                                       0
                                                                              6

                                     1.31
                                     0.88
                                     0.56
                                  0.70+-0.21
branched C5 alkanes

                                     72.15
                                      LM

                                       0
                                                                              8

                                     1.45
                                     0.93
                                     0.65
                                  0.79+-0.20
neopentane
463-82-1
                                     72.15
                                      Exp
                                       1

                                       0
                                                                              6

                                     0.67
                                     0.39
                                     0.26
                                  0.33+-0.08
isopentane
78-78-4
                                     72.15
                                      Exp
                                       1

                                       0
                                                                              6

                                     1.45
                                     0.93
                                     0.65
                                  0.79+-0.20
cyclopentane
287-92-3
                                     70.13
                                     AdjP
                                       1

                                       0
                                                                              6

                                     2.39
                                     1.41
                                     0.89
                                  1.15+-0.35
n-hexane
110-54-3
                                     86.18
                                      Exp
                                       1
                                       3
                                       0
                                                                              2

                                     1.24
                                     0.84
                                     0.50
                                  0.65+-0.22
branched C6 alkanes

                                     86.18
                                      LM

                                       0
                                                                              8

                                     1.31
                                     0.83
                                     0.55
                                  0.68+-0.18
2,2-dimethyl butane
75-83-2
                                     86.18
                                      Exp
                                       1

                                       0
                                                                              6

                                     1.17
                                     0.71
                                     0.46
                                  0.58+-0.16
2,3-dimethyl butane
79-29-8
                                     86.18
                                      Exp
                                       1

                                       0
                                                                              6

                                     0.97
                                     0.65
                                     0.44
                                  0.54+-0.13
2-methyl pentane
107-83-5
                                     86.18
                                      Exp
                                       1

                                       0
                                                                              6

                                     1.50
                                     0.92
                                     0.57
                                  0.74+-0.23
3-methyl pentane
96-14-0
                                     86.18
                                      Exp
                                       1

                                       0
                                                                              6

                                     1.80
                                     1.11
                                     0.73
                                  0.92+-0.26
C6 cycloalkanes

                                     84.16
                                      LM

                                       0
                                                                              8

                                     1.25
                                     0.82
                                     0.47
                                  0.63+-0.22
cyclohexane
110-82-7
                                     84.16
                                     AdjP
                                       1
                                       2
                                       0
                                                                              2

                                     1.25
                                     0.82
                                     0.47
                                  0.63+-0.22
isopropyl cyclopropane
3638-35-5
                                     84.16
                                      Exp
                                       1

                                       0
                                                                              6

                                     1.22
                                     0.80
                                     0.54
                                  0.66+-0.18
methyl cyclopentane
96-37-7
                                     84.16
                                     AdjP

                                       0
                                                                              7

                                     2.19
                                     1.23
                                     0.73
                                  0.98+-0.33
Unspeciated C6 Alkanes

                                     85.51
                                      Mix

                                       0
                                                                              8

                                     1.27
                                     0.83
                                     0.50
                                  0.65+-0.21
n-heptane
142-82-5
                                    100.20
                                      Exp
                                       1

                                       0
                                                                              6

                                     1.07
                                     0.73
                                     0.39
                                  0.54+-0.21
2,2,3-trimethyl butane
464-06-2
                                    100.20
                                      Exp
                                       1

                                       0
                                                                              6

                                     1.11
                                     0.66
                                     0.42
                                  0.54+-0.14
2,2-dimethyl pentane
590-35-2
                                    100.20
                                      Exp
                                       1

                                       0
                                                                              6

                                     1.12
                                     0.68
                                     0.41
                                  0.54+-0.17
2,3-dimethyl pentane
565-59-3
                                    100.20
                                      Exp

                                       0
                                                                              7

                                     1.34
                                     0.83
                                     0.52
                                  0.67+-0.19
2,4-dimethyl pentane
108-08-7
                                    100.20
                                      Exp
                                       1

                                       0
                                                                              6

                                     1.55
                                     0.90
                                     0.55
                                  0.72+-0.22
2-methyl hexane
591-76-4
                                    100.20
                                     AdjP

                                       0
                                                                              7

                                     1.19
                                     0.76
                                     0.42
                                  0.58+-0.21
3,3-dimethyl pentane
562-49-2
                                    100.20
                                      Exp

                                       0
                                                                              7

                                     1.20
                                     0.76
                                     0.49
                                  0.62+-0.18
3-methyl hexane
589-34-4
                                    100.20
                                      Exp

                                       0
                                                                              7

                                     1.61
                                     0.96
                                     0.57
                                  0.76+-0.26
3-ethyl pentane
617-78-7
                                    100.20
                                      Exp

                                       0
                                                                              7

                                     1.90
                                     1.11
                                     0.69
                                  0.90+-0.27
branched C7 alkanes

                                    100.20
                                      LM

                                       0
                                                                              8

                                     1.48
                                     0.88
                                     0.52
                                  0.69+-0.22
1,1-dimethyl cyclopentane
1638-26-2
                                     98.19
                                     AdjP

                                       0
                                                                              7

                                     1.08
                                     0.66
                                     0.35
                                  0.49+-0.19
1,2-dimethyl cyclopentane
2452-99-5
                                     98.19
                                     AdjP

                                       0
                                                                              7

                                     1.99
                                     1.10
                                     0.61
                                  0.85+-0.31
C7 cycloalkanes

                                     98.19
                                      LM

                                       0
                                                                              7

                                     1.70
                                     1.00
                                     0.53
                                  0.75+-0.29
1,3-dimethyl cyclopentane
2453-00-1
                                     98.19
                                     AdjP

                                       0
                                                                              7

                                     1.94
                                     1.06
                                     0.58
                                  0.82+-0.30
cycloheptane
291-64-5
                                     98.19
                                     AdjP
                                       1

                                       0
                                                                              6

                                     1.96
                                     1.11
                                     0.61
                                  0.85+-0.32
ethyl cyclopentane
1640-89-7
                                     98.19
                                     AdjP

                                       0
                                                                              7

                                     2.01
                                     1.13
                                     0.63
                                  0.87+-0.33
methyl cyclohexane
108-87-2
                                     98.19
                                     AdjP
                                       1

                                       0
                                                                              6

                                     1.70
                                     1.00
                                     0.53
                                  0.75+-0.29
Unspeciated C7 Alkanes

                                     99.53
                                      Mix

                                       0
                                                                              8

                                     1.41
                                     0.87
                                     0.48
                                  0.66+-0.24
n-octane
111-65-9
                                    114.23
                                      Exp
                                       1
                                       1
                                       0
                                                                              2

                                     0.90
                                     0.61
                                     0.29
                                  0.43+-0.19
branched C8 alkanes

                                    114.23
                                      LM

                                       0
                                                                              8

                                     1.45
                                     0.86
                                     0.46
                                  0.64+-0.24
2,2,3,3-tetramethyl butane
594-82-1
                                    114.23
                                      Exp
                                       1

                                       0
                                                                              6

                                     0.33
                                     0.20
                                     0.113
                                 0.154+-0.052
2,2,4-trimethyl pentane
540-84-1
                                    114.23
                                      Exp
                                       1
                                       3
                                       0
                                                                              2

                                     1.26
                                     0.71
                                     0.44
                                  0.57+-0.17
2,2-dimethyl hexane
590-73-8
                                    114.23
                                      Exp
                                       1

                                       0
                                                                              6

                                     1.02
                                     0.61
                                     0.33
                                  0.46+-0.17
2,3,4-trimethyl pentane
565-75-3
                                    114.23
                                      Exp
                                       1

                                       0
                                                                              6

                                     1.03
                                     0.65
                                     0.39
                                  0.51+-0.16
2,3-dimethyl hexane
584-94-1
                                    114.23
                                      Exp

                                       0
                                                                              7

                                     1.19
                                     0.75
                                     0.42
                                  0.57+-0.20
2,4-dimethyl hexane
589-43-5
                                    114.23
                                      Exp

                                       0
                                                                              7

                                     1.73
                                     0.98
                                     0.54
                                  0.75+-0.27
2,5-dimethyl hexane
592-13-2
                                    114.23
                                      Exp

                                       0
                                                                              7

                                     1.46
                                     0.86
                                     0.47
                                  0.65+-0.24
2-methyl heptane
592-27-8
                                    114.23
                                      Exp

                                       0
                                                                              7

                                     1.07
                                     0.69
                                     0.35
                                  0.50+-0.21
3-methyl heptane
589-81-1
                                    114.23
                                      Exp

                                       0
                                                                              7

                                     1.24
                                     0.78
                                     0.41
                                  0.58+-0.23
4-methyl heptane
589-53-7
                                    114.23
                                      Exp

                                       0
                                                                              7

                                     1.25
                                     0.76
                                     0.40
                                  0.57+-0.23
2,3,3-trimethyl pentane
560-21-4
                                    114.23
                                      Exp

                                       0
                                                                              7

                                     1.02
                                     0.65
                                     0.41
                                  0.52+-0.15
3,3-dimethyl hexane
563-16-6
                                    114.23
                                      Exp

                                       0
                                                                              7

                                     1.24
                                     0.75
                                     0.43
                                  0.58+-0.20
2,2,3-trimethyl pentane
564-02-3
                                    114.23
                                      Exp

                                       0
                                                                              7

                                     1.22
                                     0.71
                                     0.42
                                  0.56+-0.17
3,4-dimethyl hexane
583-48-2
                                    114.23
                                      Exp

                                       0
                                                                              7

                                     1.51
                                     0.91
                                     0.54
                                  0.71+-0.23
3-ethyl 2-methyl pentane
609-26-7
                                    114.23
                                      Exp

                                       0
                                                                              7

                                     1.33
                                     0.79
                                     0.46
                                  0.62+-0.21
C8 bicycloalkanes

                                    110.20
                                      LM

                                       0
                                                                              8

                                     1.51
                                     0.89
                                     0.48
                                  0.67+-0.26
1,1,2-trimethyl cyclopentane
4259-00-1
                                    112.21
                                      Exp

                                       0
                                                                              7

                                     1.12
                                     0.65
                                     0.33
                                  0.48+-0.20
1,1,3-trimethyl cyclopentane
4516-69-2
                                    112.21
                                      Exp

                                       0
                                                                              7

                                     1.01
                                     0.60
                                     0.29
                                  0.43+-0.19
1,1-dimethyl cyclohexane
590-66-9
                                    112.21
                                      Exp

                                       0
                                                                              7

                                     1.22
                                     0.73
                                     0.37
                                  0.53+-0.22
1,2,3-trimethyl cyclopentane

                                    112.21
                                      Exp

                                       0
                                                                              7

                                     1.63
                                     0.93
                                     0.49
                                  0.70+-0.27
1,2,4-trimethyl cyclopentane

                                    112.21
                                      Exp

                                       0
                                                                              7

                                     1.53
                                     0.85
                                     0.43
                                  0.63+-0.26
1-methyl-3-ethyl cyclopentane

                                    112.21
                                     AdjP

                                       0
                                                                              7

                                     1.64
                                     0.92
                                     0.47
                                  0.68+-0.29
1,2-dimethyl cyclohexane
583-57-3
                                    112.21
                                     AdjP

                                       0
                                                                              7

                                     1.41
                                     0.87
                                     0.43
                                  0.63+-0.28
1,4-dimethyl cyclohexane
589-90-2
                                    112.21
                                     AdjP

                                       0
                                                                              7

                                     1.62
                                     0.91
                                     0.45
                                  0.67+-0.29
C8 cycloalkanes

                                    112.21
                                      LM

                                       0
                                                                              8

                                     1.47
                                     0.87
                                     0.45
                                  0.65+-0.26
1,3-dimethyl cyclohexane
591-21-9
                                    112.21
                                     AdjP

                                       0
                                                                              7

                                     1.52
                                     0.86
                                     0.41
                                  0.62+-0.28
cyclooctane
292-64-8
                                    112.21
                                     AdjP
                                       1

                                       0
                                                                              6

                                     1.46
                                     0.84
                                     0.41
                                  0.61+-0.28
ethyl cyclohexane
1678-91-7
                                    112.21
                                      Exp

                                       0
                                                                              7

                                     1.47
                                     0.87
                                     0.45
                                  0.65+-0.26
propyl cyclopentane
2040-96-2
                                    112.21
                                     AdjP

                                       0
                                                                              7

                                     1.69
                                     0.94
                                     0.48
                                  0.70+-0.30
Unspeciated C8 Alkanes

                                    113.56
                                      Mix

                                       0
                                                                              8

                                     1.27
                                     0.78
                                     0.40
                                  0.57+-0.23
n-nonane
111-84-2
                                    128.26
                                      Exp
                                       1

                                      0,+
                                                                              6
b
                                     0.78
                                     0.53
                                     0.23
                                  0.36+-0.18
branched C9 alkanes

                                    128.26
                                      LM

                                       0
                                                                              8
b
                                     1.14
                                     0.69
                                     0.33
                                  0.49+-0.22
2,2,5-trimethyl hexane
3522-94-9
                                    128.26
                                      Exp

                                       0
                                                                              7
b
                                     1.13
                                     0.65
                                     0.36
                                  0.50+-0.18
2,3,5-trimethyl hexane
1069-53-0
                                    128.26
                                     AdjP
                                       1

                                       0
                                                                              6
b
                                     1.22
                                     0.73
                                     0.39
                                  0.55+-0.20
2,4-dimethyl heptane
2213-23-2
                                    128.26
                                      Exp

                                       0
                                                                              7
b
                                     1.38
                                     0.79
                                     0.39
                                  0.58+-0.25
2-methyl octane
3221-61-2
                                    128.26
                                      Exp
                                       1

                                      0,+
                                                                              6
b
                                     0.83
                                     0.55
                                     0.24
                                  0.38+-0.19
3,3-diethyl pentane
1067-20-5
                                    128.26
                                      Exp
                                       1

                                      0,+
                                                                              6
b
                                     1.21
                                     0.74
                                     0.44
                                  0.58+-0.20
3,5-dimethyl heptane
926-82-9
                                    128.26
                                      Exp

                                       0
                                                                              7
b
                                     1.56
                                     0.92
                                     0.48
                                  0.69+-0.28
4-ethyl heptane
2216-32-2
                                    128.26
                                      Exp

                                       0
                                                                              7
b
                                     1.22
                                     0.74
                                     0.37
                                  0.54+-0.23
4-methyl octane
2216-34-4
                                    128.26
                                      Exp
                                       1

                                      0,+
                                                                              6
b
                                     0.95
                                     0.62
                                     0.29
                                  0.43+-0.20
2,4,4-trimethyl hexane
16747-30-1
                                    128.26
                                      Exp

                                       0
                                                                              7
b
                                     1.34
                                     0.76
                                     0.42
                                  0.58+-0.21
3,3-dimethyl heptane
4032-86-4
                                    128.26
                                      Exp

                                       0
                                                                              7
b
                                     1.13
                                     0.69
                                     0.37
                                  0.52+-0.20
4,4-dimethyl heptane
1068-19-5
                                    128.26
                                      Exp

                                       0
                                                                              7
b
                                     1.27
                                     0.73
                                     0.39
                                  0.55+-0.22
2,2-dimethyl heptane
1071-26-7
                                    128.26
                                      Exp

                                       0
                                                                              7
b
                                     1.00
                                     0.59
                                     0.30
                                  0.44+-0.18
2,2,4-trimethyl hexane
16747-26-5
                                    128.26
                                      Exp

                                       0
                                                                              7
b
                                     1.26
                                     0.71
                                     0.36
                                  0.53+-0.21
2,6-dimethyl heptane
1072-05-5
                                    128.26
                                      Exp

                                       0
                                                                              7
b
                                     1.04
                                     0.63
                                     0.31
                                  0.46+-0.20
2,3-dimethyl heptane
3074-71-3
                                    128.26
                                      Exp

                                       0
                                                                              7
b
                                     1.09
                                     0.69
                                     0.35
                                  0.50+-0.21
2,5-dimethyl heptane
2216-30-0
                                    128.26
                                      Exp

                                       0
                                                                              7
b
                                     1.35
                                     0.82
                                     0.43
                                  0.61+-0.24
3-methyl octane
2216-33-3
                                    128.26
                                      Exp

                                       0
                                                                              7
b
                                     0.99
                                     0.63
                                     0.30
                                  0.45+-0.20
3,4-dimethyl heptane
922-28-1
                                    128.26
                                      Exp

                                       0
                                                                              7
b
                                     1.24
                                     0.76
                                     0.41
                                  0.57+-0.22
3-ethyl heptane
15869-80-4
                                    128.26
                                      Exp

                                       0
                                                                              7
b
                                     1.10
                                     0.68
                                     0.33
                                  0.49+-0.22
cis-hydrindane; bicyclo[4.3.0]nonane
496-10-6
                                    124.22
                                     AdjP

                                       0
                                                                              7
b
                                     1.31
                                     0.76
                                     0.32
                                  0.52+-0.28
C9 bicycloalkanes

                                    124.22
                                      LM

                                       0
                                                                              8
b
                                     1.39
                                     0.80
                                     0.39
                                  0.58+-0.26
1,2,3-trimethyl cyclohexane
1678-97-3
                                    126.24
                                     AdjP

                                       0
                                                                              7
b
                                     1.22
                                     0.75
                                     0.33
                                  0.52+-0.26
1,3,5-trimethyl cyclohexane
1839-63-0
                                    126.24
                                      Exp

                                       0
                                                                              7
b
                                     1.15
                                     0.66
                                     0.28
                                  0.46+-0.24
1,1,3-trimethyl cyclohexane
3073-66-3
                                    126.24
                                      Exp
                                       1

                                       0
                                                                              6
b
                                     1.19
                                     0.68
                                     0.31
                                  0.48+-0.23
1-ethyl-4-methyl cyclohexane
3728-56-1
                                    126.24
                                     AdjP

                                       0
                                                                              7
b
                                     1.44
                                     0.82
                                     0.38
                                  0.59+-0.28
propyl cyclohexane
1678-92-8
                                    126.24
                                      Exp

                                       0
                                                                              7
b
                                     1.29
                                     0.76
                                     0.38
                                  0.55+-0.24
C9 cycloalkanes

                                    126.24
                                      LM

                                       0
                                                                              8
b
                                     1.36
                                     0.79
                                     0.38
                                  0.57+-0.26
Unspeciated C9 Alkanes

                                    127.59
                                      Mix

                                       0
                                                                              8

                                     1.09
                                     0.67
                                     0.31
                                  0.47+-0.22
n-decane
124-18-5
                                    142.28
                                      Exp
                                       1

                                      0,+
                                                                              6
b
                                     0.68
                                     0.47
                                     0.184
                                  0.30+-0.17
branched C10 alkanes

                                    142.28
                                      LM

                                       0
                                                                              8
b
                                     0.94
                                     0.58
                                     0.26
                                  0.40+-0.20
2,4,6-trimethyl heptane
2613-61-8
                                    142.28
                                      Exp

                                       0
                                                                              7
b
                                     1.28
                                     0.72
                                     0.34
                                  0.52+-0.23
2,4-dimethyl octane
4032-94-4
                                    142.28
                                      Exp

                                       0
                                                                              7
b
                                     1.03
                                     0.62
                                     0.28
                                  0.44+-0.21
2,6-dimethyl octane
2051-30-1
                                    142.28
                                      Exp
                                       1
                                       2
                                      0,+
                                                                              2
b
                                     1.08
                                     0.64
                                     0.31
                                  0.46+-0.21
2-methyl nonane
871-83-0
                                    142.28
                                      Exp
                                       1
                                       2
                                      0,+
                                                                              2
b
                                     0.73
                                     0.49
                                     0.195
                                  0.32+-0.18
3,4-diethyl hexane
19398-77-7
                                    142.28
                                      Exp
                                       1
                                       2
                                      0,+
                                                                              2
b
                                     0.89
                                     0.55
                                     0.28
                                  0.40+-0.17
3-methyl nonane
5911-04-6
                                    142.28
                                      Exp

                                       0
                                                                              7
b
                                     0.75
                                     0.50
                                     0.20
                                  0.33+-0.18
4-methyl nonane
17301-94-9
                                    142.28
                                      Exp

                                       0
                                                                              7
b
                                     0.86
                                     0.55
                                     0.24
                                  0.38+-0.19
4-propyl heptane
3178-29-8
                                    142.28
                                      Exp

                                       0
                                                                              7
b
                                     1.02
                                     0.62
                                     0.29
                                  0.44+-0.21
2,4,4-trimethyl heptane

                                    142.28
                                      Exp

                                       0
                                                                              7
b
                                     1.31
                                     0.72
                                     0.37
                                  0.54+-0.22
2,5,5-trimethyl heptane

                                    142.28
                                      Exp

                                       0
                                                                              7
b
                                     1.25
                                     0.72
                                     0.38
                                  0.54+-0.21
3,3-dimethyl octane
4110-44-5
                                    142.28
                                      Exp

                                       0
                                                                              7
b
                                     1.09
                                     0.65
                                     0.33
                                  0.48+-0.20
4,4-dimethyl octane
15869-95-1
                                    142.28
                                      Exp

                                       0
                                                                              7
b
                                     1.14
                                     0.67
                                     0.33
                                  0.49+-0.21
2,2-dimethyl octane
15869-87-1
                                    142.28
                                      Exp

                                       0
                                                                              7
b
                                     0.83
                                     0.50
                                     0.23
                                  0.35+-0.16
2,2,4-trimethyl heptane
14720-74-2
                                    142.28
                                      Exp

                                       0
                                                                              7
b
                                     1.16
                                     0.64
                                     0.31
                                  0.47+-0.20
2,2,5-trimethyl heptane

                                    142.28
                                      Exp

                                       0
                                                                              7
b
                                     1.26
                                     0.72
                                     0.39
                                  0.55+-0.20
2,3,6-trimethyl heptane
4032-93-3
                                    142.28
                                     AdjP

                                       0
                                                                              7
b
                                     0.90
                                     0.58
                                     0.27
                                  0.40+-0.19
2,3-dimethyl octane
7146-60-3
                                    142.28
                                      Exp

                                       0
                                                                              7
b
                                     0.86
                                     0.56
                                     0.26
                                  0.39+-0.19
2,5-dimethyl octane

                                    142.28
                                      Exp

                                       0
                                                                              7
b
                                     1.03
                                     0.63
                                     0.29
                                  0.44+-0.22
2-methyl-3-ethyl heptane
14676-29-0
                                    142.28
                                      Exp

                                       0
                                                                              7
b
                                     0.99
                                     0.62
                                     0.30
                                  0.44+-0.20
4-ethyl octane
15869-86-0
                                    142.28
                                     AdjP

                                       0
                                                                              7
b
                                     0.79
                                     0.53
                                     0.20
                                  0.34+-0.21
C10 bicycloalkanes

                                    138.25
                                      LM

                                       0
                                                                              8
b
                                     1.09
                                     0.65
                                     0.30
                                  0.46+-0.22
isobutyl cyclohexane; (2-methylpropyl) cyclohexane
1678-98-4
                                    140.27
                                      LM

                                       0
                                                                              8
b
                                     0.99
                                     0.61
                                     0.28
                                  0.43+-0.21
sec-butyl cyclohexane
7058-01-7
                                    140.27
                                      LM

                                       0
                                                                              8
b
                                     0.99
                                     0.61
                                     0.28
                                  0.43+-0.21
C10 cycloalkanes

                                    140.27
                                      LM

                                       0
                                                                              8
b
                                     1.07
                                     0.65
                                     0.30
                                  0.46+-0.22
1,3-diethyl cyclohexane
1678-99-5
                                    140.27
                                     AdjP

                                       0
                                                                              7
b
                                     1.26
                                     0.74
                                     0.34
                                  0.52+-0.25
1,4-diethyl cyclohexane
1679-00-1
                                    140.27
                                      Exp

                                       0
                                                                              7
b
                                     1.23
                                     0.71
                                     0.33
                                  0.50+-0.24
1-methyl-3-isopropyl cyclohexane
16580-24-8
                                    140.27
                                      Exp

                                       0
                                                                              7
b
                                     1.00
                                     0.62
                                     0.29
                                  0.43+-0.21
butyl cyclohexane
1678-93-9
                                    140.27
                                      Exp
                                       1

                                       0
                                                                              6
b
                                     0.99
                                     0.61
                                     0.28
                                  0.43+-0.21
unspeciated C10 alkanes

                                    141.61
                                      Mix

                                       0
                                                                              8

                                     0.90
                                     0.56
                                     0.25
                                  0.39+-0.20
n-undecane
1120-21-4
                                    156.31
                                      Exp
                                       1

                                      0,+
                                                                              6
b
                                     0.61
                                     0.42
                                     0.157
                                  0.27+-0.16
branched C11 alkanes

                                    156.31
                                      LM

                                       0
                                                                              8
b
                                     0.73
                                     0.47
                                     0.188
                                  0.31+-0.18
2,3,4,6-tetramethyl heptane
61868-54-0
                                    156.31
                                      Exp

                                       0
                                                                              7
b
                                     1.11
                                     0.67
                                     0.33
                                  0.48+-0.21
2,6-dimethyl nonane
17302-28-2
                                    156.31
                                      Exp

                                       0
                                                                              7
b
                                     0.79
                                     0.50
                                     0.21
                                  0.33+-0.18
3,5-diethyl heptane
61869-02-1
                                    156.31
                                      Exp

                                       0
                                                                              7
b
                                     1.11
                                     0.66
                                     0.30
                                  0.46+-0.23
3-methyl decane
13151-34-3
                                    156.31
                                      Exp

                                       0
                                                                              7
b
                                     0.65
                                     0.44
                                     0.163
                                  0.28+-0.17
4-methyl decane
2847-72-5
                                    156.31
                                      Exp

                                       0
                                                                              7
b
                                     0.68
                                     0.45
                                     0.174
                                  0.29+-0.17
C11 bicycloalkanes

                                    152.28
                                      LM

                                       0
                                                                              8
b
                                     0.91
                                     0.56
                                     0.24
                                  0.38+-0.21
C11 cycloalkanes

                                    154.29
                                      LM

                                       0
                                                                              8
b
                                     0.90
                                     0.56
                                     0.23
                                  0.38+-0.21
1,3-diethyl-5-methyl cyclohexane
164259-42-1
                                    154.29
                                      Exp

                                       0
                                                                              7
b
                                     1.04
                                     0.61
                                     0.26
                                  0.42+-0.22
1-ethyl-2-propyl cyclohexane
62238-33-9
                                    154.29
                                     AdjP

                                       0
                                                                              7
b
                                     0.81
                                     0.53
                                     0.21
                                  0.35+-0.21
pentyl cyclohexane
4292-92-6
                                    154.29
                                      Exp

                                       0
                                                                              7
b
                                     0.84
                                     0.53
                                     0.23
                                  0.36+-0.19
unspeciated C11 alkanes

                                    155.64
                                      Mix

                                       0
                                                                              8

                                     0.74
                                     0.48
                                     0.193
                                  0.32+-0.18
n-dodecane
112-40-3
                                    170.33
                                      Exp
                                       1
                                       2
                                      0,+
                                                                              3
b
                                     0.55
                                     0.38
                                     0.139
                                  0.24+-0.15
branched C12 alkanes

                                    170.33
                                      LM

                                       0
                                                                              8
b
                                     0.63
                                     0.43
                                     0.141
                                  0.26+-0.18
2,3,5,7-tetramethyl octane
62199-32-0
                                    170.33
                                      Exp

                                       0
                                                                              7
b
                                     0.91
                                     0.55
                                     0.23
                                  0.38+-0.20
2,6-diethyl octane
62183-94-2
                                    170.33
                                      Exp

                                       0
                                                                              7
b
                                     0.97
                                     0.59
                                     0.27
                                  0.42+-0.20
3,6-dimethyl decane
17312-53-7
                                    170.33
                                     AdjP

                                       0
                                                                              7
b
                                     0.70
                                     0.47
                                     0.156
                                  0.29+-0.19
3-methyl undecane
1002-43-3
                                    170.33
                                      Exp

                                       0
                                                                              7
b
                                     0.59
                                     0.40
                                     0.145
                                  0.25+-0.16
5-methyl undecane
1632-70-8
                                    170.33
                                     AdjP

                                       0
                                                                              7
b
                                     0.55
                                     0.39
                                     0.105
                                  0.22+-0.18
C12 tricycloalkanes

                                    164.29
                                      LM

                                       0
                                                                              8
b
                                     0.82
                                     0.51
                                     0.196
                                  0.33+-0.20
C12 bicycloalkanes

                                    166.30
                                      LM

                                       0
                                                                              8
b
                                     0.81
                                     0.50
                                     0.194
                                  0.33+-0.20
C12 cycloalkanes

                                    168.32
                                      LM

                                       0
                                                                              8
b
                                     0.80
                                     0.49
                                     0.192
                                  0.32+-0.19
1,3,5-triethyl cyclohexane
164259-43-2
                                    168.32
                                      Exp

                                       0
                                                                              7
b
                                     1.02
                                     0.59
                                     0.27
                                  0.42+-0.21
1-methyl-4-pentyl cyclohexane
75736-67-3
                                    168.32
                                      Exp

                                       0
                                                                              7
b
                                     0.72
                                     0.46
                                     0.177
                                  0.30+-0.18
hexyl cyclohexane
4292-75-5
                                    168.32
                                     AdjP
                                       1
                                       2
                                       0
                                                                              2
b
                                     0.65
                                     0.43
                                     0.133
                                  0.26+-0.19
unspeciated C12 alkanes

                                    169.66
                                      Mix

                                       0
                                                                              8

                                     0.66
                                     0.44
                                     0.157
                                  0.28+-0.18
n-tridecane
629-50-5
                                    184.36
                                      Exp
                                       1

                                      0,+
                                                                              6
b
                                     0.53
                                     0.37
                                     0.133
                                  0.23+-0.15
branched C13 alkanes

                                    184.36
                                      LM

                                       0
                                                                              8
b
                                     0.60
                                     0.40
                                     0.140
                                  0.25+-0.16
2,3,6-trimethyl 4-isopropyl heptane

                                    184.36
                                      Exp

                                       0
                                                                              7
b
                                     0.93
                                     0.55
                                     0.25
                                  0.39+-0.19
2,4,6,8-tetramethyl nonane
14638-54-1
                                    184.36
                                     AdjP

                                       0
                                                                              7
b
                                     0.76
                                     0.47
                                     0.170
                                  0.30+-0.19
3,6-dimethyl undecane
17301-28-9
                                    184.36
                                      Exp

                                       0
                                                                              7
b
                                     0.69
                                     0.44
                                     0.175
                                  0.29+-0.17
3,7-diethyl nonane

                                    184.36
                                      Exp

                                       0
                                                                              7
b
                                     0.89
                                     0.52
                                     0.23
                                  0.37+-0.19
3-methyl dodecane
17312-57-1
                                    184.36
                                      Exp

                                       0
                                                                              7
b
                                     0.54
                                     0.37
                                     0.134
                                  0.24+-0.15
5-methyl dodecane
17453-93-9
                                    184.36
                                     AdjP

                                       0
                                                                              7
b
                                     0.47
                                     0.34
                                     0.079
                                 0.188+-0.168
C13 tricycloalkanes

                                    178.31
                                      LM

                                       0
                                                                              8
b
                                     0.71
                                     0.46
                                     0.173
                                  0.30+-0.18
C13 bicycloalkanes

                                    180.33
                                      LM

                                       0
                                                                              8
b
                                     0.70
                                     0.45
                                     0.171
                                  0.29+-0.18
C13 cycloalkanes

                                    182.35
                                      LM

                                       0
                                                                              8
b
                                     0.70
                                     0.45
                                     0.170
                                  0.29+-0.18
1,3-diethyl-5-propyl cyclohexane

                                    182.35
                                      Exp

                                       0
                                                                              7
b
                                     0.96
                                     0.56
                                     0.25
                                  0.39+-0.20
1-methyl-2-hexyl cyclohexane
92031-93-1
                                    182.35
                                      Exp

                                       0
                                                                              7
b
                                     0.58
                                     0.40
                                     0.144
                                  0.25+-0.17
heptyl cyclohexane
5617-41-4
                                    182.35
                                     AdjP

                                       0
                                                                              7
b
                                     0.55
                                     0.38
                                     0.113
                                  0.23+-0.18
unspeciated C13 alkanes

                                    183.69
                                      Mix

                                       0
                                                                              8

                                     0.61
                                     0.40
                                     0.148
                                  0.26+-0.16
n-tetradecane
629-59-4
                                    198.39
                                      Exp
                                       1
                                       2
                                      0,+
                                                                              3
b
                                     0.51
                                     0.36
                                     0.133
                                  0.23+-0.14
branched C14 alkanes

                                    198.39
                                      LM

                                       0
                                                                              8
b
                                     0.55
                                     0.37
                                     0.130
                                  0.23+-0.15
2,4,5,6,8-pentamethyl nonane

                                    198.39
                                      Exp

                                       0
                                                                              7
b
                                     0.95
                                     0.59
                                     0.26
                                  0.41+-0.21
2-methyl 3,5-diisopropyl heptane

                                    198.39
                                     AdjP

                                       0
                                                                              7
b
                                     0.56
                                     0.37
                                     0.123
                                  0.23+-0.16
3,7-dimethyl dodecane
82144-67-0
                                    198.39
                                      Exp

                                       0
                                                                              7
b
                                     0.62
                                     0.40
                                     0.158
                                  0.26+-0.16
3,8-diethyl decane
6224-52-8
                                    198.39
                                     AdjP

                                       0
                                                                              7
b
                                     0.60
                                     0.40
                                     0.136
                                  0.25+-0.17
3-methyl tridecane
6418-41-3
                                    198.39
                                      Exp

                                       0
                                                                              7
b
                                     0.51
                                     0.35
                                     0.126
                                  0.22+-0.14
6-methyl tridecane
13287-21-3
                                    198.39
                                     AdjP

                                       0
                                                                              7
b
                                     0.46
                                     0.33
                                     0.079
                                 0.183+-0.162
C14 tricycloalkanes

                                    192.34
                                      LM

                                       0
                                                                              8
b
                                     0.66
                                     0.42
                                     0.161
                                  0.27+-0.17
C14 bicycloalkanes

                                    194.36
                                      LM

                                       0
                                                                              8
b
                                     0.66
                                     0.42
                                     0.159
                                  0.27+-0.17
C14 cycloalkanes

                                    196.37
                                      LM

                                       0
                                                                              8
b
                                     0.65
                                     0.41
                                     0.157
                                  0.27+-0.17
1,3-dipropyl-5-ethyl cyclohexane

                                    196.37
                                      Exp

                                       0
                                                                              7
b
                                     0.91
                                     0.53
                                     0.24
                                  0.37+-0.19
trans-1-methyl-4-heptyl cyclohexane
205324-73-8
                                    196.37
                                      Exp

                                       0
                                                                              7
b
                                     0.53
                                     0.36
                                     0.125
                                  0.22+-0.16
octyl cyclohexane
1795-15-9
                                    196.37
                                     AdjP

                                       2
                                       0
                                                                              7
b
                                     0.51
                                     0.36
                                     0.106
                                  0.21+-0.17
unspeciated C14 alkanes

                                    197.72
                                      Mix

                                       0
                                                                              8

                                     0.57
                                     0.38
                                     0.140
                                  0.24+-0.16
n-pentadecane
629-62-9
                                    212.41
                                      Exp
                                       1
                                       4
                                      0,+
                                                                              3
b
                                     0.50
                                     0.34
                                     0.133
                                  0.22+-0.14
branched C15 alkanes

                                    212.41
                                      LM

                                       0
                                                                              8
b
                                     0.50
                                     0.34
                                     0.119
                                  0.21+-0.15
2,6,8-trimethyl 4-isopropyl nonane

                                    212.41
                                      Exp

                                       0
                                                                              7
b
                                     0.63
                                     0.40
                                     0.154
                                  0.26+-0.16
3,7-dimethyl tridecane

                                    212.41
                                      Exp

                                       0
                                                                              7
b
                                     0.55
                                     0.37
                                     0.140
                                  0.24+-0.15
3,9-diethyl undecane
13286-72-1
                                    212.41
                                      Exp

                                       0
                                                                              7
b
                                     0.51
                                     0.35
                                     0.128
                                  0.22+-0.14
3-methyl tetradecane
18435-22-8
                                    212.41
                                      Exp

                                       0
                                                                              7
b
                                     0.48
                                     0.33
                                     0.122
                                  0.21+-0.14
6-methyl tetradecane
26730-16-5
                                    212.41
                                     AdjP

                                       0
                                                                              7
b
                                     0.42
                                     0.31
                                     0.072
                                 0.169+-0.153
C15 tricycloalkanes

                                    206.37
                                      LM

                                       0
                                                                              8
b
                                     0.63
                                     0.40
                                     0.154
                                  0.26+-0.16
C15 bicycloalkanes

                                    208.38
                                      LM

                                       0
                                                                              8
b
                                     0.62
                                     0.40
                                     0.152
                                  0.26+-0.16
C15 cycloalkanes

                                    210.40
                                      LM

                                       0
                                                                              8
b
                                     0.61
                                     0.39
                                     0.151
                                  0.26+-0.16
1,3,5-tripropyl cyclohexane

                                    210.40
                                      Exp

                                       0
                                                                              7
b
                                     0.87
                                     0.50
                                     0.23
                                  0.36+-0.18
1-methyl-2-octyl cyclohexane

                                    210.40
                                     AdjP

                                       0
                                                                              7
b
                                     0.50
                                     0.35
                                     0.127
                                  0.22+-0.15
nonyl cyclohexane
2883-02-5
                                    210.40
                                     AdjP

                                       0
                                                                              7
b
                                     0.47
                                     0.33
                                     0.093
                                 0.193+-0.157
1,3-diethyl-5-pentyl cyclohexane

                                    210.40
                                      Exp

                                       0
                                                                              7
b
                                     0.66
                                     0.41
                                     0.159
                                  0.27+-0.16
unspeciated C15 alkanes

                                    211.74
                                      Mix

                                       0
                                                                              8

                                     0.54
                                     0.36
                                     0.134
                                  0.23+-0.15
n-C16
544-76-3
                                    226.44
                                     AdjP
                                       1
                                       3
                                      0,+
                                                                              3
b
                                     0.45
                                     0.32
                                     0.104
                                 0.194+-0.144
branched C16 alkanes

                                    226.44
                                      LM

                                       0
                                                                              8
b
                                     0.47
                                     0.33
                                     0.120
                                  0.21+-0.13
2,7-dimethyl 3,5-diisopropyl heptane

                                    226.44
                                     AdjP

                                       0
                                                                              7
b
                                     0.52
                                     0.35
                                     0.114
                                  0.22+-0.16
3-methyl pentadecane
2882-96-4
                                    226.44
                                      Exp

                                       0
                                                                              7
b
                                     0.46
                                     0.32
                                     0.118
                                  0.20+-0.13
4,8-dimethyl tetradecane
175032-36-7
                                    226.44
                                      Exp

                                       0
                                                                              7
b
                                     0.49
                                     0.33
                                     0.124
                                  0.21+-0.14
7-methyl pentadecane
6165-40-8
                                    226.44
                                      Exp

                                       0
                                                                              7
b
                                     0.45
                                     0.32
                                     0.117
                                  0.20+-0.13
C16 tricycloalkanes

                                    220.39
                                      LM

                                       0
                                                                              8
b
                                     0.59
                                     0.37
                                     0.144
                                  0.24+-0.15
C16 bicycloalkanes

                                    222.41
                                      LM

                                       0
                                                                              8
b
                                     0.58
                                     0.37
                                     0.143
                                  0.24+-0.15
C16 cycloalkanes

                                    224.43
                                      LM

                                       0
                                                                              8
b
                                     0.55
                                     0.36
                                     0.135
                                  0.23+-0.15
1,3-propyl-5-butyl cyclohexane

                                    224.43
                                      Exp

                                       0
                                                                              7
b
                                     0.75
                                     0.45
                                     0.20
                                  0.31+-0.16
1-methyl-4-nonyl cyclohexane
39762-40-8
                                    224.43
                                      Exp

                                       0
                                                                              7
b
                                     0.46
                                     0.32
                                     0.115
                                  0.20+-0.14
decyl cyclohexane
1795-16-0
                                    224.43
                                     AdjP

                                       0
                                                                              7
b
                                     0.43
                                     0.31
                                     0.087
                                 0.180+-0.149
unspeciated C16 alkanes

                                    225.77
                                      Mix

                                       0
                                                                              8

                                     0.49
                                     0.34
                                     0.120
                                  0.21+-0.14
n-C17
629-78-7
                                    240.47
                                      LM

                                      0,+
                                                                              7
b
                                     0.42
                                     0.30
                                     0.098
                                 0.183+-0.136
branched C17 alkanes

                                    240.47
                                      LM

                                       0
                                                                              8
b
                                     0.44
                                     0.31
                                     0.113
                                 0.194+-0.126
C17 tricycloalkanes

                                    234.42
                                      LM

                                       0