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, Phase change 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 | -5087.95 | kJ/mol | Ccb | Krall and Roberts, 1958 | Corresponding ΔfHºgas = 117.2 kJ/mol (simple calculation by NIST; no Washburn corrections) |
Condensed phase thermochemistry data
Go To: Top, Gas phase thermochemistry data, Phase change 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 | -4985.2 | kJ/mol | Ccb | Auwsers, Roth, et al., 1910 | Corresponding ΔfHºliquid = 15. kJ/mol (simple calculation by NIST; no Washburn corrections) |
Phase change 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 as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Tboil | 450. ± 3. | K | AVG | N/A | Average of 7 values; Individual data points |
| Quantity | Value | Units | Method | Reference | Comment |
| Tfus | 246.65 | K | N/A | Park and Wright, 1954 | Uncertainty assigned by TRC = 1. K; TRC |
| Tfus | 243.23 | K | N/A | Anonymous, 1953 | Uncertainty assigned by TRC = 0.2 K; TRC |
| Tfus | 243.82 | K | N/A | Anonymous, 1953 | Uncertainty assigned by TRC = 0.15 K; TRC |
| Tfus | 243.08 | K | N/A | Anonymous, 1952 | Uncertainty assigned by TRC = 0.5 K; TRC |
| Tfus | 242.15 | K | N/A | Lespieau, 1930 | Uncertainty assigned by TRC = 4. K; cis-trans isomer not identified, but m.p. corr. approx. to cis-; TRC |
Enthalpy of vaporization
| ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 46.4 | 306. | A | Stephenson and Malanowski, 1987 | Based on data from 291. to 452. K. See also Stull, 1947.; AC |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change 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]
Park and Wright, 1954
Park, W.R.R.; Wright, G.F.,
J. Org. Chem., 1954, 19, 1435. [all data]
Anonymous, 1953
Anonymous, R.,
, Physical Properties of Chemical Substances, Dow Chemical Company, 1953. [all data]
Anonymous, 1952
Anonymous, R.,
, Physical Properties of Chemical Substances, Dow Chemical Co., 1952. [all data]
Lespieau, 1930
Lespieau, R.,
Preparation of the β Dibromides of Trimethylenic Hydrocarbons,
Bull. Soc. Chim. Fr., 1930, 47, 847. [all data]
Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw,
Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2
. [all data]
Stull, 1947
Stull, Daniel R.,
Vapor Pressure of Pure Substances. Organic and Inorganic Compounds,
Ind. Eng. Chem., 1947, 39, 4, 517-540, https://doi.org/10.1021/ie50448a022
. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, References
- Symbols used in this document:
Tboil Boiling point Tfus Fusion (melting) point ΔcH°gas Enthalpy of combustion of gas at standard conditions ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔvapH Enthalpy of vaporization - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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