o-Cymene
- Formula: C10H14
- Molecular weight: 134.2182
- IUPAC Standard InChI: InChI=1S/C10H14/c1-8(2)10-7-5-4-6-9(10)3/h4-8H,1-3H3
- IUPAC Standard InChIKey: WWRCMNKATXZARA-UHFFFAOYSA-N
- CAS Registry Number: 527-84-4
- 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: Benzene, 1-methyl-2-(1-methylethyl)-; o-Cymol; o-Isopropyltoluene; 1-Isopropyl-2-methylbenzene; 1-Methyl-2-isopropylbenzene; 2-Isopropyltoluene; 1-Methyl-2-(1-methylethyl)-benzene; Cymene, ortho; UN 2046; 1-(1-methylethyl)-2-methylbenzene; 1-methyl,2-n-isopropylbenzene; ortho-Cymene
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Condensed phase thermochemistry data
Go To: Top, Reaction thermochemistry data, 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°liquid | -17.52 ± 0.24 | kcal/mol | Ccb | Good, 1973 | |
| ΔfH°liquid | -18.19 ± 0.51 | kcal/mol | Ccb | Prosen, Johnson, et al., 1946 | |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°liquid | -1401.20 ± 0.20 | kcal/mol | Ccb | Good, 1973 | Corresponding ΔfHºliquid = -17.52 kcal/mol (simple calculation by NIST; no Washburn corrections) |
| ΔcH°liquid | -1400.55 ± 0.53 | kcal/mol | Ccb | Prosen, Johnson, et al., 1946 | Corresponding ΔfHºliquid = -18.17 kcal/mol (simple calculation by NIST; no Washburn corrections) |
Reaction thermochemistry data
Go To: Top, Condensed phase thermochemistry data, 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: 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
=
By formula: C10H14 = C10H14
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -2.10 ± 0.45 | kcal/mol | Eqk | Tsvetkov, Rozhnov, et al., 1985 | gas phase |
References
Go To: Top, Condensed phase thermochemistry data, Reaction thermochemistry data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Good, 1973
Good, W.D.,
The enthalpies of combustion and formation of n-butylbenzene, the diethylbenzenes, the methyl-n-propylbenzenes, and the methyl-iso-propylbenzenes,
J. Chem. Thermodyn., 1973, 5, 707-714. [all data]
Prosen, Johnson, et al., 1946
Prosen, E.J.; Johnson, W.H.; Rossini, F.D.,
Heats of combustion and formation at 25°C of the alkylbenzenes through C10H14, and of the higher normal monoalkylbenzenes,
J. Res. NBS, 1946, 36, 455-461. [all data]
Tsvetkov, Rozhnov, et al., 1985
Tsvetkov, V.F.; Rozhnov, A.M.; Nesterova, T.N.,
Study of the equilibrium of isomerization and transalkylation of isopropyltoluenes,
Neftekhimiya, 1985, 53-57. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, Reaction thermochemistry data, References
- Symbols used in this document:
ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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