Cyclohexane, 2-propenyl-
- Formula: C9H16
- Molecular weight: 124.2233
- IUPAC Standard InChIKey: KVOZXXSUSRZIKD-UHFFFAOYSA-N
- CAS Registry Number: 2114-42-3
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: Cyclohexane, allyl-; Allylcyclohexane; 1-Cyclohexyl-2-propene; 1-Propene, 3-cyclohexyl-; 3-Cyclohexyl-1-propene
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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: Eugene S. Domalski and Elizabeth D. Hearing
Constant pressure heat capacity of liquid
Cp,liquid (cal/mol*K) | Temperature (K) | Reference |
---|---|---|
55.81 | 298.15 | Fuchs and Peacock, 1979 |
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
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 400.23 | K | N/A | Anonymous, 1952 | Uncertainty assigned by TRC = 0.15 K; TRC |
Tboil | 422. | K | N/A | Hurd and Bollman, 1933 | Uncertainty assigned by TRC = 4. K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 10.51 ± 0.06 | kcal/mol | C | Fuchs and Peacock, 1979 | ALS |
ΔvapH° | 10.5 ± 0.05 | kcal/mol | GCC | Fuchs and Peacock, 1979 | AC |
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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Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.
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 |
Mass spectrum (electron ionization)
Go To: Top, Condensed phase thermochemistry data, Phase change data, IR Spectrum, Gas Chromatography, References, Notes
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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Additional Data
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Due to licensing restrictions, this spectrum cannot be downloaded.
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-NW-6804 |
NIST MS number | 235709 |
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
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | OV-101 | 100. | 926. | Engewald, Topalova, et al., 1987 | Column length: 50. m; Column diameter: 0.30 mm |
Capillary | OV-1 | 100. | 925.9 | Anders, Anders, et al., 1985 | 55. m/0.21 mm/0.35 μm, N2 |
Capillary | SE-30 | 130. | 935. | Bredael, 1982 | Column length: 100. m; Column diameter: 0.5 mm |
Capillary | SE-30 | 80. | 919. | Bredael, 1982 | Column length: 100. m; Column diameter: 0.5 mm |
Capillary | Squalane | 86. | 921.0 | Nabivach, Bur'yan, et al., 1978 | Column length: 50. m; Column diameter: 0.25 mm |
Capillary | Squalane | 96. | 922.5 | Nabivach, Bur'yan, et al., 1978 | Column length: 50. m; Column diameter: 0.25 mm |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Squalane | 919. | Chen, 2008 | Program: not specified |
Capillary | Methyl Silicone | 918. | Zenkevich, 1996 | Program: not specified |
Capillary | Methyl Silicone | 918. | Zenkevich, 1995 | Program: not specified |
References
Go To: Top, Condensed phase thermochemistry data, Phase change data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Fuchs and Peacock, 1979
Fuchs, R.; Peacock, L.A.,
Heats of vaporization and gaseous heats of formation of some five- and six-membered ring alkenes,
Can. J. Chem., 1979, 57, 2302-2304. [all data]
Anonymous, 1952
Anonymous, R.,
, Physical Properties of Chemical Substances, Dow Chemical Co., 1952. [all data]
Hurd and Bollman, 1933
Hurd, C.D.; Bollman, H.T.,
The Pyrolysis of Alpha Unsaturated Hydrocarbons,
J. Am. Chem. Soc., 1933, 55, 699-702. [all data]
Engewald, Topalova, et al., 1987
Engewald, W.; Topalova, I.; Petsev, N.; Dimitrov, Chr.,
Structure-Retention Correlations of Hydrocarbons in GLC and GSC. Alkenylbenzenes,
Chromatographia, 1987, 23, 8, 561-565, https://doi.org/10.1007/BF02324864
. [all data]
Anders, Anders, et al., 1985
Anders, G.; Anders, K.; Engewald, W.,
Identification of non-branched alkenylcycloalkanes with a terminal double bond from retention index increments,
Chromatographia, 1985, 20, 2, 83-86, https://doi.org/10.1007/BF02280602
. [all data]
Bredael, 1982
Bredael, P.,
Retention indices of hydrocarbons on SE-30,
J. Hi. Res. Chromatogr. Chromatogr. Comm., 1982, 5, 6, 325-328, https://doi.org/10.1002/jhrc.1240050610
. [all data]
Nabivach, Bur'yan, et al., 1978
Nabivach, V.M.; Bur'yan, P.; Matsak, I.,
Retention indices of aromatic hydrocarbons on a squalane capillary column,
Zh. Anal. Khim., 1978, 33, 7, 1108-1113. [all data]
Chen, 2008
Chen, H.-F.,
Quantitative prediction of gas chromatography retention indices with support vector machines, radial basis neutral networks and multiple linear regression,
Anal. Chim. Acta, 2008, 609, 1, 24-36, https://doi.org/10.1016/j.aca.2008.01.003
. [all data]
Zenkevich, 1996
Zenkevich, I.G.,
Informational Maitenance of Gas Chromatographic Identification of Organic Compounds in Ecoanalytical Investigations,
Z. Anal. Chem., 1996, 51, 11, 1140-1148. [all data]
Zenkevich, 1995
Zenkevich, I.G.,
Calculation of Gas-Chromatographic Retention Indices from Physico-Chemical Constants of Organic Compounds,
Z. Anal. Chem., 1995, 50, 10, 1048-1056. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, Phase change data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, References
- Symbols used in this document:
Cp,liquid Constant pressure heat capacity of liquid Tboil Boiling point ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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