trans-β-Methylstyrene
- Formula: C9H10
- Molecular weight: 118.1757
- IUPAC Standard InChI: InChI=1S/C9H10/c1-2-6-9-7-4-3-5-8-9/h2-8H,1H3/b6-2+
- IUPAC Standard InChIKey: QROGIFZRVHSFLM-QHHAFSJGSA-N
- CAS Registry Number: 873-66-5
- 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. - Stereoisomers:
- Other names: (E)- β-Methylstyrene; trans-Propenylbenzene; Benzene, 1-propenyl-, (E)-; (E)-1-Propenyl benzene
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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, 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 |
|---|---|---|---|---|---|
| ΔcH°gas | -1216.05 | kcal/mol | Ccb | Krall and Roberts, 1958 | Corresponding ΔfHºgas = 28.01 kcal/mol (simple calculation by NIST; no Washburn corrections) |
Condensed phase thermochemistry data
Go To: Top, Gas phase thermochemistry data, 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 |
|---|---|---|---|---|---|
| ΔcH°liquid | -1191.5 | kcal/mol | Ccb | Auwsers, Roth, et al., 1910 | Corresponding ΔfHºliquid = 3.5 kcal/mol (simple calculation by NIST; no Washburn corrections) |
Reaction thermochemistry data
Go To: Top, Gas phase thermochemistry data, 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: H2 + C9H10 = C9H12
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -25.31 ± 0.31 | kcal/mol | Chyd | Abboud, Jimenez, et al., 1995 | liquid phase; solvent: Hyrocarbon; Like gas phase |
=
By formula: C9H10 = C9H10
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -2.63 ± 0.07 | kcal/mol | Eqk | Taskinen and Lindholm, 1994 | liquid phase; solvent: DMSO; Heat of isomerization |
=
By formula: C9H10 = C9H10
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -5.6 ± 0.1 | kcal/mol | Eqk | Taskinen and Lindholm, 1994 | liquid phase; solvent: DMSO |
=
By formula: C9H10 = C9H10
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -4.80 | kcal/mol | Eqk | Taskinen and Lindholm, 1994 | gas phase; Heat of isomerization |
References
Go To: Top, Gas phase thermochemistry data, 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.
Krall and Roberts, 1958
Krall, R.E.; Roberts, J.D.,
Strain variation in the unsaturated cyclobutane ring,
Am. Chem. Soc. Div. Pet. Chem., 1958, 3, 63-68. [all data]
Auwsers, Roth, et al., 1910
Auwsers, K.; Roth, W.A.; Eisenlohr, F.,
III. Verbrennungswarmen von Terpenen und Styrolen,
Justus Liebigs Ann. Chem., 1910, 267-290. [all data]
Abboud, Jimenez, et al., 1995
Abboud, J.-L.M.; Jimenez, P.; Roux, M.V.; Turrion, C.; Lopez-Mardomingo, C.; Podosenin, A.; Rogers, D.W.; Liebman, J.F.,
Interrelations of the energetics of amides and alkenes: enthalpies of formation of N,N-dimethyl dertivatives of pivalamide, 1-adamantylcarboxamide and benzamide, and of styrene and its a-, trans-β- and β,β-methylated derivates,
J. Phys. Org. Chem., 1995, 8, 15-25. [all data]
Taskinen and Lindholm, 1994
Taskinen, E.; Lindholm, N.,
Relative thermodynamic stabilities of the isomeric propenylbenzenes,
J. Phys. Org. Chem., 1994, 7, 256-258. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, References
- Symbols used in this document:
ΔcH°gas Enthalpy of combustion of gas at standard conditions ΔcH°liquid Enthalpy of combustion 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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