1-Propanol, 3-chloro-
- Formula: C3H7ClO
- Molecular weight: 94.540
- IUPAC Standard InChIKey: LAMUXTNQCICZQX-UHFFFAOYSA-N
- CAS Registry Number: 627-30-5
- 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: Trimethylene chlorohydrin; 1-Chloro-3-hydroxypropane; 3-Chloro-1-propanol; 3-Chloropropanol; 3-Chloropropane-1-ol; 3-Chlorpropan-1-ol; 3-Chloropropanol-1; UN 2849; 1-Chloro-3-propanol; 3-Chloro-1-hydroxypropane; Propanol, 3-chloro-; NSC 60190; 3-chloropropan-1-ol
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Phase change data
Go To: Top, Gas phase ion energetics data, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: Robert L. Brown and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 434.2 | K | N/A | Aldrich Chemical Company Inc., 1990 | |
Tboil | 433. to 435. | K | N/A | Farchan Laboratories, 1990 |
Reduced pressure boiling point
Tboil (K) | Pressure (atm) | Reference |
---|---|---|
326.2 | 0.008 | Weast and Grasselli, 1989 |
Gas phase ion energetics data
Go To: Top, Phase change data, References, Notes
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:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
LL - Sharon G. Lias and Joel F. Liebman
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
10.35 | PE | Kimura, Katsumata, et al., 1981 | LLK |
10.7 | PE | Kimura, Katsumata, et al., 1981 | Vertical value; LLK |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
CH3O+ | 11.20 | ClCH2CH2 | EI | Holmes and Lossing, 1988 | LL |
References
Go To: Top, Phase change data, Gas phase ion energetics data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc.,
Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [all data]
Farchan Laboratories, 1990
Farchan Laboratories,
Research Chemicals Catalog, Farchan Laboratories, Gainesville, FL, 1990, 91. [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]
Kimura, Katsumata, et al., 1981
Kimura, K.; Katsumata, S.; Achiba, Y.; Yamazaki, T.; Iwata, S.,
Ionization energies, Ab initio assignments, and valence electronic structure for 200 molecules
in Handbook of HeI Photoelectron Spectra of Fundamental Organic Compounds, Japan Scientific Soc. Press, Tokyo, 1981. [all data]
Holmes and Lossing, 1988
Holmes, J.L.; Lossing, F.P.,
Heats of formation and bond dissociation energies in halogen-substituted methyl and ethyl radicals,
J. Am. Chem. Soc., 1988, 110, 7343. [all data]
Notes
Go To: Top, Phase change data, Gas phase ion energetics data, References
- Symbols used in this document:
AE Appearance energy Tboil Boiling point - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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