Chloral
- Formula: C2HCl3O
- Molecular weight: 147.388
- 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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Condensed phase thermochemistry data
Go To: Top, Reaction thermochemistry data, Henry's Law 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:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°liquid | -52.13 | kcal/mol | Cm | Pritchard and Skinner, 1950 | Heat of hydrolysis; ALS |
Constant pressure heat capacity of liquid
Cp,liquid (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
36.21 | 298. | von Reis, 1881 | T = 294 to 383 K.; DH |
Reaction thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Henry's Law 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: 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 |
Henry's Law data
Go To: Top, Condensed phase thermochemistry data, 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: Rolf Sander
Henry's Law constant (water solution)
kH(T) = k°H exp(d(ln(kH))/d(1/T) ((1/T) - 1/(298.15 K)))
k°H = Henry's law constant for solubility in water at 298.15 K (mol/(kg*bar))
d(ln(kH))/d(1/T) = Temperature dependence constant (K)
k°H (mol/(kg*bar)) | d(ln(kH))/d(1/T) (K) | Method | Reference | Comment |
---|---|---|---|---|
340000. | 3500. | M | N/A | missing citation list effective values that take into account hydration of the aldehydes: kH = ([RCHO] + [RCH(OH)2]) / p(RCHO) |
References
Go To: Top, Condensed phase thermochemistry data, Reaction thermochemistry data, Henry's Law data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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]
von Reis, 1881
von Reis, M.A.,
Die specifische Wärme flüssiger organischer Verbindungen und ihre Beziehung zu deren Moleculargewicht,
Ann. Physik [3], 1881, 13, 447-464. [all data]
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]
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]
Notes
Go To: Top, Condensed phase thermochemistry data, Reaction thermochemistry data, Henry's Law data, References
- Symbols used in this document:
Cp,liquid Constant pressure heat capacity of liquid d(ln(kH))/d(1/T) Temperature dependence parameter for Henry's Law constant k°H Henry's Law constant at 298.15K ΔfH°liquid Enthalpy of formation of liquid at standard conditions ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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