Cyclopentane, hexyl-
- Formula: C11H22
- Molecular weight: 154.2924
- IUPAC Standard InChIKey: LKHGKBBAJAFMSQ-UHFFFAOYSA-N
- CAS Registry Number: 4457-00-5
- 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: Hexylcyclopentane
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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 |
---|---|---|---|---|---|
ΔfH°gas | -50.07 ± 0.39 | kcal/mol | Ccb | Prosen, Johnson, et al., 1946 | Heat of combustion of the gas |
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 |
---|---|---|---|---|---|
ΔcH°liquid | -1735.99 ± 0.36 | kcal/mol | Ccb | Prosen, Johnson, et al., 1946 | Heat of combustion of the gas; Corresponding ΔfHºliquid = -50.04 kcal/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 by: William E. Acree, Jr., James S. Chickos
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔvapH° | 13.4 | kcal/mol | N/A | Reid, 1972 |
Gas phase ion energetics 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: Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
Ionization energy determinations
IE (eV) | Method | Reference |
---|---|---|
9.90 ± 0.03 | PE | Rang, Paldoia, et al., 1974 |
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-1 | 100. | 1137.9 | Anders, Anders, et al., 1985 | 55. m/0.21 mm/0.35 μm, N2 |
Packed | Squalane | 100. | 1137. | Bogoslovsky, Anvaer, et al., 1978 | |
Packed | Squalane | 120. | 1141. | Bogoslovsky, Anvaer, et al., 1978 | |
Packed | Squalane | 80. | 1133. | Bogoslovsky, Anvaer, et al., 1978 | |
Capillary | Squalane | 100. | 1135. | Rang, Orav, et al., 1977 | Nitrogen or helium; Column length: 100. m; Column diameter: 0.25 mm |
Capillary | Squalane | 100. | 1138. | Dielmann, Schwengers, et al., 1974 | Column length: 100. m; Column diameter: 0.25 mm |
Capillary | Squalane | 120. | 1141. | Dielmann, Schwengers, et al., 1974 | Column length: 100. m; Column diameter: 0.25 mm |
Capillary | Squalane | 80. | 1133. | Dielmann, Schwengers, et al., 1974 | Column length: 100. m; Column diameter: 0.25 mm |
Kovats' RI, polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | PEG 4000 | 100. | 1207. | Rang, Orav, et al., 1988 | |
Capillary | PEG 4000 | 70. | 1194. | Rang, Orav, et al., 1988 | |
Capillary | PEG 4000 | 80. | 1199. | Rang, Orav, et al., 1988 | |
Capillary | PEG-20M | 100. | 1196. | Rang, Orav, et al., 1988 | |
Capillary | PEG-20M | 110. | 1200. | Rang, Orav, et al., 1988 | |
Capillary | PEG-20M | 120. | 1204. | Rang, Orav, et al., 1988 | |
Capillary | PEG-20M | 130. | 1208. | Rang, Orav, et al., 1988 | |
Capillary | PEG-20M | 140. | 1212. | Rang, Orav, et al., 1988 | |
Capillary | PEG-20M | 80. | 1188. | Rang, Orav, et al., 1988 | |
Capillary | PEG-20M | 90. | 1192. | Rang, Orav, et al., 1988 | |
Capillary | PEG-20M | 100. | 1196.2 | Orav, Kuningas, et al., 1982 | He; Column length: 100. m; Column diameter: 0.25 mm |
Capillary | PEG-20M | 110. | 1199.7 | Orav, Kuningas, et al., 1982 | He; Column length: 100. m; Column diameter: 0.25 mm |
Capillary | PEG-20M | 120. | 1204.4 | Orav, Kuningas, et al., 1982 | He; Column length: 100. m; Column diameter: 0.25 mm |
Capillary | PEG-20M | 130. | 1208.5 | Orav, Kuningas, et al., 1982 | He; Column length: 100. m; Column diameter: 0.25 mm |
Capillary | PEG-20M | 140. | 1212.4 | Orav, Kuningas, et al., 1982 | He; Column length: 100. m; Column diameter: 0.25 mm |
Capillary | PEG-20M | 80. | 1187.5 | Orav, Kuningas, et al., 1982 | He; Column length: 100. m; Column diameter: 0.25 mm |
Capillary | PEG-20M | 90. | 1192. | Orav, Kuningas, et al., 1982 | He; Column length: 100. m; Column diameter: 0.25 mm |
Capillary | PEG 4000 | 100. | 1207. | Rang, Orav, et al., 1977 | Nitrogen or Helium; Column length: 45. m; Column diameter: 0.25 mm |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Petrocol DH | 1136. | White, Hackett, et al., 1992 | 100. m/0.25 mm/0.5 μm, He, 1. K/min; Tstart: 30. C; Tend: 220. C |
Normal alkane RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-5 MS | 1136. | Kotowska, Zalikowski, et al., 2012 | 30. m/0.25 mm/0.25 μm, Helium, 35. C @ 5. min, 3. K/min, 300. C @ 15. min |
Capillary | SP-2100 | 1132. | Alencar, Alves, et al., 1983 | He, 4. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tstart: 40. C; Tend: 250. C |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-5 MS | 1134. | Kotowska, Zalikowski, et al., 2012 | 30. m/0.25 mm/0.25 μm, Helium; Program: not specified |
Capillary | Squalane | 1134. | Chen, 2008 | Program: not specified |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, Gas Chromatography, 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]
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]
Rang, Paldoia, et al., 1974
Rang, S.; Paldoia, P.; Talvari, A.,
Ionization potentials of unsaturated hydrocarbons. 2. Mono-substituted cyclopentenes and cyclohexenes,
Eesti. NSV Tead. Akad. Toim., 1974, 354. [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]
Bogoslovsky, Anvaer, et al., 1978
Bogoslovsky, Yu.N.; Anvaer, B.I.; Vigdergauz, M.S.,
Chromatographic constants in gas chromatography (in Russian), Standards Publ. House, Moscow, 1978, 192. [all data]
Rang, Orav, et al., 1977
Rang, S.; Orav, A.; Kuningas, K.; Eisen, O.,
Capillary Gas Chromatography of Monosubstituted Cyclopentenes and Cyclohexenes,
Chromatographia, 1977, 10, 3, 115-122, https://doi.org/10.1007/BF02297862
. [all data]
Dielmann, Schwengers, et al., 1974
Dielmann, G.; Schwengers, D.; Schomburg, G.,
Gas-chromatographische Retentionsdaten und Strukture chemischer Verbindungen Gesättigte und ungesättigte alkylsubstituierte Cyclopentane und Methylcyclopentane,
Chromatographia, 1974, 7, 5, 215-224, https://doi.org/10.1007/BF02321771
. [all data]
Rang, Orav, et al., 1988
Rang, S.A.; Orav, A.E.; Kuningas, K.R.; Meister, A.E.; Strense, T.V.; Eisen, O.G.,
Gas-Chromatographic Characteristics of unsaturated hydrocarbons, Academy of Sciences of Estonia SSR, Tallinn, Estonia SSR, 1988, 208. [all data]
Orav, Kuningas, et al., 1982
Orav, A.; Kuningas, K.; Rang, S.; Eisen, O.,
Capillary gas chromatography of monosubstituted cyclopentenes and cyclohexenes C8-C15 on polyethylene glycol 20M,
Eesti NSV Tead. Akad. Toim. Keem., 1982, 40-49. [all data]
White, Hackett, et al., 1992
White, C.M.; Hackett, J.; Anderson, R.R.; Kail, S.; Spock, P.S.,
Linear temperature programmed retention indices of gasoline range hydrocarbons and chlorinated hydrocarbons on cross-linked polydimethylsiloxane,
J. Hi. Res. Chromatogr., 1992, 15, 2, 105-120, https://doi.org/10.1002/jhrc.1240150211
. [all data]
Kotowska, Zalikowski, et al., 2012
Kotowska, U.; Zalikowski, M.; Isidorov, V.A.,
HS-SPME/GC-MS analysis of volatile and semi-volatile organic compounds emitted from municipal sewage sludge,
Environ. Monit. Asses., 2012, 184, 5, 2893-2907, https://doi.org/10.1007/s10661-011-2158-8
. [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]
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]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, Gas Chromatography, References
- Symbols used in this document:
ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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