1-Propanol, 2,3-dichloro-
- Formula: C3H6Cl2O
- Molecular weight: 128.985
- IUPAC Standard InChI: InChI=1S/C3H6Cl2O/c4-1-3(5)2-6/h3,6H,1-2H2
- IUPAC Standard InChIKey: ZXCYIJGIGSDJQQ-UHFFFAOYSA-N
- CAS Registry Number: 616-23-9
- 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: α,β-Dichlorohydrin; β-Dichlorohydrin; Glycerol α,β-dichlorohydrin; 1,2-Dichloro-3-propanol; 2,3-Dichloro-1-propanol; 2,3-Dichloropropanol; 1,2-Dichloropropanol-3; Glyceryl dichlorohydrin; 2,3-dichloropropan-1-ol
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Condensed phase thermochemistry data
Go To: Top, IR Spectrum, Gas Chromatography, 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°liquid | -91.0 ± 0.4 | kcal/mol | Ccr | Bjellerup and Smith, 1954 | At 293 K |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°liquid | -407.2 ± 0.3 | kcal/mol | Ccr | Bjellerup and Smith, 1954 | At 293 K |
| ΔcH°liquid | -411.797 | kcal/mol | Ccb | Smith and Schjdnberg, 1931 | Not corrected for CODATA value of ΔfH; Only two runs |
IR Spectrum
Go To: Top, Condensed phase thermochemistry data, Gas Chromatography, References, Notes
Data compiled by: Coblentz Society, Inc.
- LIQUID; PERKIN-ELMER; DIGITIZED BY NIST FROM HARD COPY; 4 cm-1 resolution
- SOLUTION (10% CCl4 FOR 2.5-7.5, 10% CS2 FOR 7.5-16 MICRON); Not specified, most likely a prism, grating, or hybrid spectrometer.; DIGITIZED BY NIST FROM HARD COPY; 4 cm-1 resolution
- SOLUTION (10% CCl4 FOR 3800-1335, 10% CS2 FOR 1335-450 CM-1); DOW KBr FOREPRISM-GRATING; DIGITIZED BY COBLENTZ SOCIETY (BATCH I) FROM HARD COPY (ADJUSTED subtractcm-1only3600); 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 | 959. | Huang, Liang, et al., 1996 | 36. m/0.25 mm/0.25 μm, 5. K/min; Tstart: 35. C; Tend: 240. C |
References
Go To: Top, Condensed phase thermochemistry data, IR Spectrum, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Bjellerup and Smith, 1954
Bjellerup, L.; Smith, L.,
Heats of combustion of some organic chloro-compounds,
Kgl. Fysiograph. Sallskap. Lund Forh., 1954, 24, 1-13. [all data]
Smith and Schjdnberg, 1931
Smith, L.; Schjdnberg, E.,
Uber die Verbrennung von chlorhaltigen Substanzen in Berthelots Bombe,
Svensk Kemisk Tidskrift, 1931, 213-226. [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
Go To: Top, Condensed phase thermochemistry data, IR Spectrum, Gas Chromatography, References
- Symbols used in this document:
ΔcH°liquid Enthalpy of combustion of liquid 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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