Chloral
- Formula: C2HCl3O
- Molecular weight: 147.388
- IUPAC Standard InChI: InChI=1S/C2HCl3O/c3-2(4,5)1-6/h1H
- IUPAC Standard InChIKey: HFFLGKNGCAIQMO-UHFFFAOYSA-N
- CAS Registry Number: 75-87-6
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: Acetaldehyde, trichloro-; Anhydrous chloral; Trichloroacetaldehyde; Trichloroethanal; CCl3CHO; Trichloracetaldehyde; 2,2,2-Trichloroethanal; Cloralio; Grasex; Rcra waste number U034; 2,2,2-Trichloroacetaldehyde; Acetaldehyde, 2,2,2-trichloro-
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Reaction thermochemistry data
Go To: Top, 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
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: C2HCl3O + H2O = C2H3Cl3O2
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -12.37 ± 0.02 | kcal/mol | Cm | Wiberg, Morgan, et al., 1994 | liquid phase |
| ΔrH° | -12.222 ± 0.037 | kcal/mol | Eqk | Henke, Hadad, et al., 1993 | liquid phase; solvent: Acetone |
+
=
+
By formula: HNaO + C2HCl3O = CHNaO2 + CHCl3
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -24.58 | kcal/mol | Cm | Pritchard and Skinner, 1950 | liquid phase; Heat of hydrolysis |
+
=
By formula: CH4O + C2HCl3O = 2,2,2-trichloro-1-methoxyethanol
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -11.5 | kcal/mol | Eqk | Jensen and Pedersen, 1971 | liquid phase; solvent: Heptane |
+
=
By formula: C3H8O + C2HCl3O = 2,2,2-trichloro-1-isopropoxyethanol
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -9.95 | kcal/mol | Eqk | Jensen and Pedersen, 1971 | liquid phase; solvent: Heptane |
+
=
By formula: C2H6O + C2HCl3O = C4H7Cl3O2
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -11.3 | kcal/mol | Eqk | Jensen and Pedersen, 1971 | liquid phase; solvent: Heptane |
Gas Chromatography
Go To: Top, Reaction thermochemistry 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: NIST Mass Spectrometry Data Center, William E. Wallace, director
Kovats' RI, non-polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Packed | SE-30 | 150. | 715. | Tiess, 1984 | Ar, Gas Chrom Q (80-100 mesh); Column length: 3. m |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Packed | SE-30 | 695. | MHA, 9999 | Nitrogen, Chromosorb G AW DMCS (80-100 mesh); Column length: 2. m; Tstart: 100. C; Tend: 300. C |
References
Go To: Top, Reaction thermochemistry data, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Wiberg, Morgan, et al., 1994
Wiberg, K.B.; Morgan, K.M.; Maltz, H.,
Thermochemistry of carbonyl reactions. 6. A study of hydration equilibria,
J. Am. Chem. Soc., 1994, 116, 11067-11077. [all data]
Henke, Hadad, et al., 1993
Henke, S.L.; Hadad, C.M.; Morgan, K.M.; Wiberg, K.B.; Wasserman, H.H.,
A theorectical and experimental investigation of vicinal tricarbonyl systems and their hydrates,
J. Org. Chem., 1993, 58, 2830-2839. [all data]
Pritchard and Skinner, 1950
Pritchard, H.O.; Skinner, H.A.,
The heats of hydrolysis of chloral and bromal, and the C-C bond dissociation energies in chloral and bromal,
J. Am. Chem. Soc., 1950, 1928-1931. [all data]
Jensen and Pedersen, 1971
Jensen, R.B.; Pedersen, S.B.,
Reaction between chloral and alcohols. 9. Dissociation of chloral hemiacetals of some aliphatic primary and secondary alcohols,
Acta Chem. Scand., 1971, 25, 2911-2930. [all data]
Tiess, 1984
Tiess, D.,
Gaschromatographische Retentionsindices von 125 leicht- bis mittelflüchtigen organischen Substanzen toxikologisch-analytischer Relevanz auf SE-30,
Wiss. Z. Wilhelm-Pieck-Univ. Rostock Math. Naturwiss. Reihe, 1984, 33, 6-9. [all data]
MHA, 9999
MHA, Directorate of ForensicScience.,
Forensic Toxicology, 9999. [all data]
Notes
Go To: Top, Reaction thermochemistry data, Gas Chromatography, References
- Symbols used in this document:
ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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