Chloral Hydrate

• Formula: C₂H₃Cl₃O₂
• Molecular weight: 165.403
• IUPAC Standard InChI: InChI=1S/C2H3Cl3O2/c3-2(4,5)1(6)7/h1,6-7H Copy

  
• IUPAC Standard InChIKey: RNFNDJAIBTYOQL-UHFFFAOYSA-N Copy
• 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:
  • Phase change data
  • Reaction thermochemistry data
  • IR Spectrum
  • References
  • Notes
• Other data available:
  • Mass spectrum (electron ionization)
  • Gas Chromatography
• Options:
  • Switch to SI units

Data at NIST subscription sites:

• NIST / TRC Web Thermo Tables, professional edition (thermophysical and thermochemical data)

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

Enthalpy of vaporization

Antoine Equation Parameters

log₁₀(P) = A − (B / (T + C))
    P = vapor pressure (atm)
    T = temperature (K)

View plot Requires a JavaScript / HTML 5 canvas capable browser.

Enthalpy of sublimation

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

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

• gas; HP-GC/MS/IRD

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.