1-Propene, 1-chloro-
- Formula: C3H5Cl
- Molecular weight: 76.525
- IUPAC Standard InChI: InChI=1S/C3H5Cl/c1-2-3-4/h2-3H,1H3
- IUPAC Standard InChIKey: OWXJKYNZGFSVRC-UHFFFAOYSA-N
- CAS Registry Number: 590-21-6
- Chemical structure:
This structure is also available as a 2d Mol file - Stereoisomers:
- Other names: Propene, 1-chloro-; Propenyl chloride; 1-Chloro-1-propene; 1-Chloropropene; CH3CH=CHCl; 1-Chloropropylene; NSC 6155; Propene, 1-chloro- (about 83% cis); Propene, 1-chloro- (about 90% trans)
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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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | -4.6 | kJ/mol | Eqk | Alfassi, Golden, et al., 1973 |
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
Enthalpy of vaporization
| ΔvapH (kJ/mol) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 29.5 | 206. | Stull, 1947 | Based on data from 191. to 310. K. |
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
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.
Individual Reactions
=
+
By formula: C3H6BrCl = HBr + C3H5Cl
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 75.4 | kJ/mol | Eqk | Levanova, Rodova, et al., 1983 | liquid phase; Flow reactor |
=
+
By formula: C3H6Cl2 = C3H5Cl + HCl
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 71.2 | kJ/mol | Eqk | Levanova, Rodova, et al., 1983 | liquid phase; Flow reactor |
=
By formula: C3H5Cl = C3H5Cl
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -9.96 ± 0.42 | kJ/mol | Ciso | Abell and Adolf, 1969 | gas phase; HBr catalyst |
=
By formula: C3H5Cl = C3H5Cl
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 11. ± 0.8 | kJ/mol | Eqk | Alfassi, Golden, et al., 1973 | liquid phase |
Gas phase ion energetics 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: Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| C3H4+ | 11.54 ± 0.05 | HCl | EI | Mommers, Burgers, et al., 1984 |
IR Spectrum
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Data compiled by: Coblentz Society, Inc.
- SOLUTION (10% CCl4 FOR 2.6-7.5, 10% CS2 FOR 7.5-22 MICRON); DOW KBr FOREPRISM-GRATING; DIGITIZED BY COBLENTZ SOCIETY (BATCH I) FROM HARD COPY
2, 2 cm-1 resolution
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-54 | 490. | Huang, Liang, et al., 1996 | 36. m/0.25 mm/0.25 μm, 5. K/min; Tstart: 35. C; Tend: 240. C |
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.
Alfassi, Golden, et al., 1973
Alfassi, Z.B.; Golden, D.M.; Benson, S.W.,
The thermochemistry of the isomerization of 3-halopropenes (allyl halides) to 1-halopropenes; entropy and enthalpy of formation contribution of the Cd-(H)(X) group,
J. Chem. Thermodyn., 1973, 5, 411-420. [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]
Levanova, Rodova, et al., 1983
Levanova, S.V.; Rodova, R.M.; Tereshkina, T.P.; Zabrodina, T.I.,
Thermocatalytic reactions of bromochloropropanes,
Russ. J. Phys. Chem. (Engl. Transl.), 1983, 57, 1142-1146. [all data]
Abell and Adolf, 1969
Abell, P.I.; Adolf, P.K.,
HBr catalyzed photoisomerization of allyl halides,
J. Chem. Thermodyn., 1969, 1, 333-338. [all data]
Mommers, Burgers, et al., 1984
Mommers, A.A.; Burgers, P.C.; Holmes, J.L.; Terlouw, J.K.,
Isomeric [C3H4]+ ions: Their identification and generation in dissociative ionizations,
Org. Mass Spectrom., 1984, 19, 7. [all data]
Huang, Liang, et al., 1996
Huang, C.; Liang, H.; Han, S.,
The analysis of organic compounds in waste water by gas extraction/thermal desorption/gas chromatography-mass spectrometry,
Chin. J. Chromatogr., 1996, 14, 6, 421-424. [all data]
Notes
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- Symbols used in this document:
AE Appearance energy ΔfH°gas Enthalpy of formation of gas at standard conditions ΔrH° Enthalpy of reaction at standard conditions ΔvapH Enthalpy of vaporization - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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