Benzene, cyclopropyl-
- Formula: C9H10
- Molecular weight: 118.1757
- IUPAC Standard InChI: InChI=1S/C9H10/c1-2-4-8(5-3-1)9-6-7-9/h1-5,9H,6-7H2
- IUPAC Standard InChIKey: VFSFCYAQBIPUSL-UHFFFAOYSA-N
- CAS Registry Number: 873-49-4
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
View 3d structure (requires JavaScript / HTML 5) - Other names: Cyclopropane, phenyl-; Cyclopropylbenzene; Phenylcyclopropane; 1-Phenylcyclopropane
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Gas 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 as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | 36.02 ± 0.24 | kcal/mol | Ccb | Fuchs, Hallman, et al., 1982 | Heat of combustion is not reported; ALS |
| ΔfH°gas | 35.9 ± 0.2 | kcal/mol | N/A | Kozina, Lukina, et al., 1961 | Value computed using ΔfHliquid° value of 100.2±0.8 kj/mol from Kozina, Lukina, et al., 1961 and ΔvapH° value of 50.2±0.1 kj/mol from missing citation.; DRB |
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 | 24.0 ± 0.2 | kcal/mol | Ccb | Kozina, Lukina, et al., 1961 | Error in hf by author |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°liquid | -1213.3 | kcal/mol | Ccb | Fierens and Nasielski, 1962 | Corresponding ΔfHºliquid = 25.3 kcal/mol (simple calculation by NIST; no Washburn corrections) |
| ΔcH°liquid | -1212.0 ± 0.2 | kcal/mol | Ccb | Kozina, Lukina, et al., 1961 | Error in hf by author; Corresponding ΔfHºliquid = 24.0 kcal/mol (simple calculation by NIST; no Washburn corrections) |
IR Spectrum
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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
Gas Phase Spectrum
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Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.
Additional Data
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| Owner | NIST Standard Reference Data Program Collection (C) 2018 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
|---|---|
| Origin | Sadtler Research Labs Under US-EPA Contract |
| State | gas |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, IR Spectrum, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Fuchs, Hallman, et al., 1982
Fuchs, R.; Hallman, J.H.; Perlman, M.O.,
Thermochemistry of conjugation of simple cyclopropane derivatives,
Can. J. Chem., 1982, 60, 1832-1835. [all data]
Kozina, Lukina, et al., 1961
Kozina, M.P.; Lukina, M.Yu.; Zubareya, N.D.; Safonova, I.L.; Skuratov, S.M.; Kazansky, B.A.,
The energy of combustion of some phenylcyclopropanes,
Dokl. Akad. Nauk SSSR, 1961, 138, 843-845. [all data]
Fierens and Nasielski, 1962
Fierens, P.J.C.; Nasielski, J.,
Chaleurs de combustion de derives cyclopropaniques et pouvoir de conjugaison du groupe cyclopropyle,
Bull. Soc. Chim. Belg., 1962, 71, 187-202. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, IR Spectrum, References
- Symbols used in this document:
ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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