- Formula: C4H7ClO2
- Molecular weight: 122.550
- IUPAC Standard InChI:
- Download the identifier in a file.
- IUPAC Standard InChIKey: QQKDTTWZXHEGAQ-UHFFFAOYSA-N
- CAS Registry Number: 109-61-5
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
- Other names: Carbonochloridic acid, propyl ester; Formic acid, chloro-, propyl ester; Propyl chlorocarbonate; Propyl chloroformate; chloroformic acid propylester; UN 2740
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Condensed phase thermochemistry data
Go To: Top, Phase change data, Mass spectrum (electron ionization), References, Notes
Data compiled by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
|fH°liquid||-127.49 ± 0.18||kcal/mol||Cm||Finch and Salem, 1987||Heat of reaction[kJ/mol]=-228.89±0.31|
Phase change data
Go To: Top, Condensed phase thermochemistry data, Mass spectrum (electron ionization), References, Notes
Data compiled as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Kenneth Kroenlein director
AC - William E. Acree, Jr., James S. Chickos
|Tboil||378.7||K||N/A||Aldrich Chemical Company Inc., 1990||BS|
|Tboil||388.4||K||N/A||Weast and Grasselli, 1989||BS|
|Tboil||387.35||K||N/A||Finch and Salem, 1987, 2||Uncertainty assigned by TRC = 0.4 K; TRC|
|vapH°||9.73 ± 0.1||kcal/mol||N/A||Davies, Finch, et al., 1990||Based on data from 293. - 303. K.; AC|
|vapH°||9.73 ± 0.1||kcal/mol||C||Davies, Finch, et al., 1990||AC|
Mass spectrum (electron ionization)
Go To: Top, Condensed phase thermochemistry data, Phase change data, References, Notes
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
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|Owner||NIST Mass Spectrometry Data Center|
Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
|Origin||Japan AIST/NIMC Database- Spectrum MS-NW- 979|
|NIST MS number||230238|
Go To: Top, Condensed phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), Notes
Finch and Salem, 1987
Finch, A.; Salem, K.M.M., Standard enthalpies of formation of n-propylchloroformate and benzyl chloroformate vial solution calorimetry, Thermochim. Acta, 1987, 116, 65-69. [all data]
Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc., Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [all data]
Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]
Finch and Salem, 1987, 2
Finch, A.; Salem, K.M.M., Standard Enthalpies of Formation of n-Propylchloroformate and Benzyl Chloroformate via Solution Calorimetry, Thermochim. Acta, 1987, 116, 65. [all data]
Davies, Finch, et al., 1990
Davies, R.H.; Finch, A.; Salem, K., Enthalpies of vaporization and vapour pressures of n-propylchloroformate and benzylchloroformate, Thermochim. Acta, 1990, 170, 213-216. [all data]
Go To: Top, Condensed phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), References
- Symbols used in this document:
Tboil Boiling point fH°liquid Enthalpy of formation of liquid at standard conditions vapH° Enthalpy of vaporization at standard conditions
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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