Chloral Hydrate
- Formula: C2H3Cl3O2
- Molecular weight: 165.403
- IUPAC Standard InChIKey: RNFNDJAIBTYOQL-UHFFFAOYSA-N
- CAS Registry Number: 302-17-0
- 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: 1,1-Ethanediol, 2,2,2-trichloro-; Bi 3411; Chloral monohydrate; Chloraldurat; Dormal; Hydral; Lorinal; Noctec; Nycoton; Nycton; Phaldrone; Rectules; Somnos; Tosyl; Trawotox; Trichloroacetaldehyde hydrate; Trichloroacetaldehyde monohydrate; 1,1,1-Trichloro-2,2-dihydroxyethane; 2,2,2-Trichloro-1,1-ethanediol; Chloradorm; Cohidrate; Escre; Felsules; Hynos; Kessodrate; Lycoral; Oradrate; Somni Sed; Sontec; SK-Chloral hydrate; Trichloracetaldehyd-hydrat; Aquachloral; Hydrate de chloral; Nortec; 1,1,1-Trichloro-2,2-ethanediol; NSC 3210; 2,2,2-trichloroethane-1,1-diol
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
- Options:
Data at NIST subscription sites:
NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.
Phase change data
Go To: Top, Reaction thermochemistry data, IR Spectrum, 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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tfus | 349. | K | N/A | Kofler and Sitte, 1950 | Uncertainty assigned by TRC = 3. K; with a "hot stage"; TRC |
Tfus | 330. | K | N/A | Kofler and Sitte, 1950 | Uncertainty assigned by TRC = 15. K; under a microscope; TRC |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
38.4 | 324. | EB | Wiberg, Morgan, et al., 1994 | Based on data from 300. to 348. K.; AC |
49.6 | 340. | A | Stephenson and Malanowski, 1987 | Based on data from 325. to 370. K.; AC |
51.5 | 278. | N/A | Stull, 1947 | Based on data from 263. to 369. K.; AC |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (bar)
T = temperature (K)
View plot Requires a JavaScript / HTML 5 canvas capable browser.
Temperature (K) | A | B | C | Reference | Comment |
---|---|---|---|---|---|
263.4 to 369.3 | 6.73001 | 2367.345 | -17.137 | Stull, 1947 | Coefficents calculated by NIST from author's data. |
Enthalpy of sublimation
ΔsubH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
50.9 | 291. | A | Stull, 1947 | Based on data from 263. to 319. K.; AC |
Reaction thermochemistry data
Go To: Top, Phase change data, IR Spectrum, 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° | -51.76 ± 0.08 | kJ/mol | Cm | Wiberg, Morgan, et al., 1994 | liquid phase |
ΔrH° | -51.14 ± 0.15 | kJ/mol | Eqk | Henke, Hadad, et al., 1993 | liquid phase; solvent: Acetone |
IR Spectrum
Go To: Top, Phase change data, Reaction thermochemistry data, References, Notes
Data compiled by: Coblentz Society, Inc.
- SOLID (NUJOL MULL); PERKIN-ELMER 21 (GRATING) $$SPECTRAL CONTAMINATION DUE TO OIL AROUND 2850 CM-1; 2 cm-1 resolution
- SOLUTION SATURATED (CS2 FOR 2-15 microns); PERKIN-ELMER 21 (GRATING); 2 cm-1 resolution
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
References
Go To: Top, Phase change data, Reaction thermochemistry data, IR Spectrum, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Kofler and Sitte, 1950
Kofler, L.; Sitte, H.,
Melting Point Determination of Substances with Melt with Decomposition,
Monatsh. Chem., 1950, 81, 619. [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]
Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw,
Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2
. [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]
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]
Notes
Go To: Top, Phase change data, Reaction thermochemistry data, IR Spectrum, References
- Symbols used in this document:
Tfus Fusion (melting) point ΔrH° Enthalpy of reaction at standard conditions ΔsubH Enthalpy of sublimation ΔvapH Enthalpy of vaporization - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
- The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
- Customer support for NIST Standard Reference Data products.