Benzene, (1-chloro-1-methylethyl)-
- Formula: C9H11Cl
- Molecular weight: 154.637
- IUPAC Standard InChI: InChI=1S/C9H11Cl/c1-9(2,10)8-6-4-3-5-7-8/h3-7H,1-2H3
- IUPAC Standard InChIKey: KPJKMUJJFXZGAX-UHFFFAOYSA-N
- CAS Registry Number: 934-53-2
- 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: Cumyl chloride; (1-Chloro-1-methylethyl)benzene; Alpha,alpha-dimethylbenzyl chloride
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Phase change 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: William E. Acree, Jr., James S. Chickos
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔvapH° | 54.7 | kJ/mol | CGC | Krasnykh, Vasiltsova, et al., 2002 |
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
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Individual Reactions
+
=
By formula: HCl + C9H10 = C9H11Cl
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -36.8 ± 1.9 | kJ/mol | Cm | Arnett and Pienta, 1980 | liquid phase; solvent: Methylene chloride; Hydrochlorination |
| ΔrH° | -51.9 ± 4.6 | kJ/mol | Cm | Nesterova, Kovzel, et al., 1977 | liquid phase; Hydrochlorination |
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 | SE-30 | 1109. | Krasnykh, Vasiltsova, et al., 2002 | Nitrogen, 30. C @ 5. min, 10. K/min; Column length: 25. m; Tend: 250. C |
| Capillary | OV-101 | 1070. | Zenkevich, 2001 | N2, 4. K/min; Column length: 25. m; Column diameter: 0.20 mm; Tstart: 60. C; Tend: 240. C |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Methyl Silicone | 1124. | Zenkevich, 1999 | Program: not specified |
References
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Krasnykh, Vasiltsova, et al., 2002
Krasnykh, Eugen L.; Vasiltsova, Tatiana V.; Verevkin, Sergey P.; Heintz, Andreas,
Vapor Pressures and Enthalpies of Vaporization of Benzyl Halides and Benzyl Ethers,
J. Chem. Eng. Data, 2002, 47, 6, 1372-1378, https://doi.org/10.1021/je020034h
. [all data]
Arnett and Pienta, 1980
Arnett, E.M.; Pienta, N.J.,
Stabilities of carbonium ions in solution. 12. Heats of formation of alkyl chlorides as an entree to heats of solvation of aliphatic carbonium ions,
J. Am. Chem. Soc., 1980, 102, 3329-3334. [all data]
Nesterova, Kovzel, et al., 1977
Nesterova, T.N.; Kovzel, E.N.; Karaseva, S.Ya.; Rozhnov, A.M.,
Heats of reaction of the hydrohalogenation of styrene and α-methylstyrene,
Vses. Konf. Kalorim. Rasshir. Tezisy Dokl. 7th, 1977, 1, 132. [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]
Zenkevich, 1999
Zenkevich, I.G.,
Mutual Correlation between Gas-Chromatographic Retention Indices of Organic Compounds from Different Series,
Zh. Anal. Khim., 1999, 54, 12, 1272-1279. [all data]
Notes
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- Symbols used in this document:
ΔrH° Enthalpy of reaction at standard conditions ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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