Cyclohexane, propyl-
- Formula: C9H18
- Molecular weight: 126.2392
- IUPAC Standard InChI: InChI=1S/C9H18/c1-2-6-9-7-4-3-5-8-9/h9H,2-8H2,1H3
- IUPAC Standard InChIKey: DEDZSLCZHWTGOR-UHFFFAOYSA-N
- CAS Registry Number: 1678-92-8
- 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: Propylcyclohexane; n-Propylcyclohexane; Cyclohexane, n-propyl-
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Gas phase thermochemistry data
Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, References, Notes
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:
DRB - Donald R. Burgess, Jr.
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | -45.98 | kcal/mol | N/A | Good, 1970 | Value computed using ΔfHliquid° value of -237.5±1.1 kj/mol from Good, 1970 and ΔvapH° value of 45.1 kj/mol from Prosen, Johnson, et al., 1946.; DRB |
| ΔfH°gas | -46.20 ± 0.30 | kcal/mol | Ccb | Prosen, Johnson, et al., 1946 | ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| S°gas | 100.35 | cal/mol*K | N/A | Finke H.L., 1965 | GT |
Reaction 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
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.
Individual Reactions
+ 3
=
By formula: C9H12 + 3H2 = C9H18
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -50.2 | kcal/mol | Eqk | Miki, 1975 | gas phase; GC |
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, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
Ionization energy determinations
| IE (eV) | Method | Reference |
|---|---|---|
| 9.46 | EQ | Sieck and Mautner(Meot-Ner), 1982 |
IR Spectrum
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, References, Notes
Data compiled by: Coblentz Society, Inc.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
References
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Good, 1970
Good, W.D.,
The enthalpies of combustion and formation of n-propylcyclohexane and six methylethylcyclohexanes,
J. Chem. Thermodyn., 1970, 2, 399-405. [all data]
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]
Finke H.L., 1965
Finke H.L.,
Thermodynamic properties of n-propyl-, n-butyl-, and n-decyl-substituted cyclohexane from 10 to 370 K,
J. Phys. Chem., 1965, 69, 2094-2100. [all data]
Miki, 1975
Miki, Y.,
The thermodynamic properties of C9H18 naphthenes. I. The determination of the equilibrium constants of the hydrogenation of propyl- and isopropylbenzene and ethyltoluenes,
Bull. Chem. Soc. Jpn., 1975, 48, 201-208. [all data]
Sieck and Mautner(Meot-Ner), 1982
Sieck, L.W.; Mautner(Meot-Ner), M.,
Ionization energies and entropies of cycloalkanes. Kinetics of free energy controlled charge-transfer reactions,
J. Phys. Chem., 1982, 86, 3646. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, References
- Symbols used in this document:
S°gas Entropy of gas at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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