Benzene, 1-chloro-2-(1-methylethyl)-
- Formula: C9H11Cl
- Molecular weight: 154.637
- IUPAC Standard InChI: InChI=1S/C9H11Cl/c1-7(2)8-5-3-4-6-9(8)10/h3-7H,1-2H3
- IUPAC Standard InChIKey: RNEMUWDQJSRDMQ-UHFFFAOYSA-N
- CAS Registry Number: 2077-13-6
- 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: Cumene, o-chloro-; o-Chlorocumene; 2-Chloroisopropylbenzene; 2-chlorocumene
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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 |
|---|---|---|---|---|---|
| ΔfH°liquid | -79.4 ± 2.1 | kJ/mol | Eqk | Nesterova, Rozhnov, et al., 1985 | |
| ΔfH°liquid | -74.8 ± 1.9 | kJ/mol | Eqk | Nesterova, Rozhnov, et al., 1985 | |
| ΔfH°liquid | -74.8 ± 1.9 | kJ/mol | Eqk | Nesterova, Rozhnov, et al., 1985 |
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
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | OV-101 | 1102. | Zenkevich, 2001 | N2, 4. K/min; Column length: 25. m; Column diameter: 0.20 mm; Tstart: 60. C; Tend: 240. C |
References
Go To: Top, Condensed phase thermochemistry data, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Nesterova, Rozhnov, et al., 1985
Nesterova, T.N.; Rozhnov, A.M.; Malova, T.N.; Kovzel, E.N.,
Molar enthalpies of formation of isopropylchlorobenzenes derived from equilibrium measurements,
J. Chem. Thermodyn., 1985, 17, 649-656. [all data]
Zenkevich, 2001
Zenkevich, I.G.,
Interpretation of Gas Chromatographic Retention Indices in estimation of Structures of Isomeric Products of Radical Chlorinating of Alkyl Arenes,
Zh. Org. Khim., 2001, 37, 2, 283-293. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, Gas Chromatography, References
- Symbols used in this document:
ΔfH°liquid Enthalpy of formation of liquid at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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