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Cyclohexane, octyl-

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Gas phase thermochemistry data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Deltafgas-295.6 ± 2.1kJ/molCcbProsen, Johnson, et al., 1946 

Condensed phase thermochemistry data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Deltacliquid-9215.3 ± 1.9kJ/molCcbProsen, Johnson, et al., 1946Corresponding «DELTA»fliquid = -295.5 kJ/mol (simple calculation by NIST; no Washburn corrections)

Phase change data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled as indicated in comments:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny, director
AC - William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Tboil528.KN/ASchlenk, 1951Uncertainty assigned by TRC = 3. K; TRC
Quantity Value Units Method Reference Comment
Tfus252.75KN/AAnonymous, 1968Uncertainty assigned by TRC = 0.5 K; TRC
Quantity Value Units Method Reference Comment
Deltavap69.8kJ/molN/AReid, 1972AC

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
62.7382.AStephenson and Malanowski, 1987Based on data from 367. - 399. K.; AC

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:


IR Spectrum

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Gas Phase Spectrum

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IR spectrum
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Additional Data

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Owner NIST Standard Reference Data Program
Collection (C) 2018 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin NIST Mass Spectrometry Data Center
State gas
Instrument HP-GC/MS/IRD

This IR spectrum is from the NIST/EPA Gas-Phase Infrared Database .


Mass spectrum (electron ionization)

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

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Mass spectrum
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Additional Data

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Owner NIST Mass Spectrometry Data Center
Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin Japan AIST/NIMC Database- Spectrum MS-IW-1910
NIST MS number 227673

All mass spectra in this site (plus many more) are available from the NIST/EPA/NIH Mass Spectral Library. Please see the following for information about the library and its accompanying search program.


Gas Chromatography

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Kovats' RI, non-polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
CapillaryDB-1140.1447.Beens, Tijssen, et al., 199810. m/0.25 mm/0.25 «mu»m, He
PackedApiezon L150.1467.Shlyakhov, Anvaer, et al., 1975 
PackedMethyl Silicone130.1449.Antheaume and Guiochon, 1965 

Kovats' RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryOV-1011423.Ohnishi and Shibamoto, 19842. K/min; Column length: 50. m; Column diameter: 0.23 mm; Tstart: 80. C; Tend: 200. C
CapillaryOV-1011429.Ohnishi and Shibamoto, 19842. K/min; Column length: 50. m; Column diameter: 0.23 mm; Tstart: 80. C; Tend: 200. C

Kovats' RI, non-polar column, custom temperature program

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Column type Active phase I Reference Comment
CapillaryHP-5MS1451.Kenig, Simons, et al., 200530. m/0.25 mm/0.25 «mu»m, He; Program: 60C(1.5min) => 20C/min => 130C => 4C/min => 315C (90min)

Van Den Dool and Kratz RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryDB-51447.5Song, Lai, et al., 200330. m/0.25 mm/0.25 «mu»m, He, 4. K/min; Tstart: 40. C; Tend: 310. C
CapillaryDB-51447.1Song, Lai, et al., 200330. m/0.25 mm/0.25 «mu»m, He, 40. C @ 5. min, 4. K/min; Tend: 310. C
CapillaryDB-51442.4Song, Lai, et al., 200330. m/0.25 mm/0.25 «mu»m, He, 2. K/min; Tstart: 40. C; Tend: 310. C
CapillaryDB-51447.5Song, Lai, et al., 200330. m/0.25 mm/0.25 «mu»m, He, 4. K/min; Tstart: 40. C; Tend: 310. C
CapillaryDB-51449.1Song, Lai, et al., 200330. m/0.25 mm/0.25 «mu»m, He, 6. K/min; Tstart: 40. C; Tend: 310. C
CapillaryDB-11432.Beens, Tijssen, et al., 199810. m/0.25 mm/0.25 «mu»m, He, 2. K/min; Tstart: 30. C; Tend: 225. C
CapillaryDB-51442.4Lai and Song, 199530. m/0.25 mm/0.25 «mu»m, He, 2. K/min; Tstart: 40. C; Tend: 310. C
CapillaryDB-51447.5Lai and Song, 199530. m/0.25 mm/0.25 «mu»m, He, 4. K/min; Tstart: 40. C; Tend: 310. C
CapillaryDB-51449.1Lai and Song, 199530. m/0.25 mm/0.25 «mu»m, He, 6. K/min; Tstart: 40. C; Tend: 310. C
CapillaryDB-51447.5Lai and Song, 199530. m/0.25 mm/0.25 «mu»m, He, 4. K/min; Tstart: 40. C; Tend: 310. C
CapillaryDB-51447.1Lai and Song, 199530. m/0.25 mm/0.25 «mu»m, He, 40. C @ 5. min, 4. K/min; Tend: 310. C
CapillaryUltra-11439.90Haynes and Pitzer, 198550. m/0.22 mm/0.33 «mu»m, He, 1. K/min; Tstart: -30. C; Tend: 240. C
CapillaryUltra-11444.49Haynes and Pitzer, 198550. m/0.22 mm/0.33 «mu»m, He, 2. K/min; Tstart: -30. C; Tend: 240. C
CapillaryUltra-11447.56Haynes and Pitzer, 198550. m/0.22 mm/0.33 «mu»m, He, 3. K/min; Tstart: -30. C; Tend: 240. C
CapillaryUltra-21446.58Haynes and Pitzer, 198550. m/0.22 mm/0.33 «mu»m, He, 1. K/min; Tstart: -30. C; Tend: 240. C
CapillaryUltra-21451.58Haynes and Pitzer, 198550. m/0.22 mm/0.33 «mu»m, He, 2. K/min; Tstart: -30. C; Tend: 240. C
CapillaryUltra-21454.77Haynes and Pitzer, 198550. m/0.22 mm/0.33 «mu»m, He, 3. K/min; Tstart: -30. C; Tend: 240. C

Normal alkane RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillarySP-21001437.Alencar, Alves, et al., 1983He, 4. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tstart: 40. C; Tend: 250. C

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, NIST Free Links, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Prosen, Johnson, et al., 1946
Prosen, E.J.; Johnson, W.H.; Rossini, F.D., Heats of formation and combustion of the normal alkylcyclopentanes and cyclohexanes and the increment per CH2 group for several homologous series of hydrocarbons, J. Res. NBS, 1946, 37, 51-56. [all data]

Schlenk, 1951
Schlenk, W., Justus Liebigs Ann. Chem., 1951, 573, 142-62. [all data]

Anonymous, 1968
Anonymous, R., Properties of hydrocarbon of high molecular weight, Am. Pet. Inst. Res. Proj. 42, Penn. State Univ., 1968. [all data]

Reid, 1972
Reid, Robert C., Handbook on vapor pressure and heats of vaporization of hydrocarbons and related compounds, R. C. Wilhort and B. J. Zwolinski, Texas A Research Foundation. College Station, Texas(1971). 329 pages.$10.00, AIChE J., 1972, 18, 6, 1278-1278, https://doi.org/10.1002/aic.690180637 . [all data]

Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw, Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2 . [all data]

Beens, Tijssen, et al., 1998
Beens, J.; Tijssen, R.; Blomberg, J., Prediction of comprehensive two-dimensional gas chromatographic separations. A theoretical and practical exercise, J. Chromatogr. A, 1998, 822, 2, 233-251, https://doi.org/10.1016/S0021-9673(98)00649-9 . [all data]

Shlyakhov, Anvaer, et al., 1975
Shlyakhov, A.F.; Anvaer, B.I.; Zolotareva, O.V.; Romina, N.N.; Novikova, N.V.; Koreshkova, R.I., On the possibility of group indentification of hydrocarbons by gas chromatography from temperature coefficients of retention indices, Zh. Anal. Khim., 1975, 30, 788-792. [all data]

Antheaume and Guiochon, 1965
Antheaume, J.; Guiochon, G., Application de la chromatographie en phase gazeuse à l'étude de la composition des fractions moyennes d'un brut pétrolier, Bull. Soc. Chim. Fr., 1965, 2, 298-307. [all data]

Ohnishi and Shibamoto, 1984
Ohnishi, S.; Shibamoto, T., Volatile compounds from heated beef fat and beef fat with glycine, J. Agric. Food Chem., 1984, 32, 5, 987-992, https://doi.org/10.1021/jf00125a008 . [all data]

Kenig, Simons, et al., 2005
Kenig, F.; Simons, D.-J.H.; Crich, D.; Cowen, J.P.; Ventura, G.T.; Rehbein-Khalily, T., Structure and distribution of branched aliphatic alkanes with quaternary carbon atoms in Cenomanian and Turonian black shales of Pasquia Hills (Saskatchewan, Canada), Org. Geochem., 2005, 36, 1, 117-138, https://doi.org/10.1016/j.orggeochem.2004.06.014 . [all data]

Song, Lai, et al., 2003
Song, C.; Lai, W.-C.; Madhusudan Reddy, K.; Wei, B., Chapter 7. Temperature-programmed retention indices for GC and GC-MS of hydrocarbon fuels and simulated distillation GC of heavy oils in Analytical advances for hydrocarbon research, Hsu,C.S., ed(s)., Kluwer Academic/Plenum Publishers, New York, 2003, 147-193. [all data]

Lai and Song, 1995
Lai, W.-C.; Song, C., Temperature-programmed retention indices for g.c. and g.c.-m.s. analysis of coal- and petroleum-derived liquid fuels, Fuel, 1995, 74, 10, 1436-1451, https://doi.org/10.1016/0016-2361(95)00108-H . [all data]

Haynes and Pitzer, 1985
Haynes, P.C., Jr.; Pitzer, E.W., Disengaging solutes in shale- and petroleum-derived jet fuels by altering GC programmed temperature rates, J. Hi. Res. Chromatogr. Chromatogr. Comm., 1985, 8, 5, 230-242, https://doi.org/10.1002/jhrc.1240080504 . [all data]

Alencar, Alves, et al., 1983
Alencar, J.W.; Alves, P.B.; Craveiro, A.A., Pyrolysis of tropical vegetable oils, J. Agric. Food Chem., 1983, 31, 6, 1268-1270, https://doi.org/10.1021/jf00120a031 . [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, NIST Free Links, References