Propane, 1,1,1,3-tetrachloro-

• Formula: C₃H₄Cl₄
• Molecular weight: 181.876
• IUPAC Standard InChI: InChI=1S/C3H4Cl4/c4-2-1-3(5,6)7/h1-2H2 Copy

  
• IUPAC Standard InChIKey: UTACNSITJSJFHA-UHFFFAOYSA-N Copy
• CAS Registry Number: 1070-78-6
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
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• Other names: 1,1,1,3-Tetrachloropropane
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• Information on this page:
  • Condensed phase thermochemistry data
  • Phase change data
  • Mass spectrum (electron ionization)
  • References
  • Notes
• Other data available:
  • Gas Chromatography
• Data at other public NIST sites:
  • Gas Phase Kinetics Database
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Condensed phase thermochemistry data

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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 as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing

Constant pressure heat capacity of liquid

Phase change data

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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 as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos
CAL - James S. Chickos, William E. Acree, Jr., Joel F. Liebman, Students of Chem 202 (Introduction to the Literature of Chemistry), University of Missouri -- St. Louis
DH - Eugene S. Domalski and Elizabeth D. Hearing

Reduced pressure boiling point

Enthalpy of vaporization

Enthalpy of fusion

Entropy of fusion

Enthalpy of phase transition

Entropy of phase transition

Mass spectrum (electron ionization)

Go To: Top, Condensed phase thermochemistry data, Phase change 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

Spectrum

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Additional Data

References

Go To: Top, Condensed phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Kolesov, Tomareva, et al., 1970
Kolesov, V.P.; Tomareva, E.M.; Skuratov, S.M., Standard enthalpy of formation of 1,1,1,3-tetrachloropropane, Russ. J. Phys. Chem. (Engl. Transl.), 1970, 44, 1580-1581. [all data]

Kolesov and Kozina, 1986
Kolesov, V.P.; Kozina, M.P., Thermochemistry of organic and organohalogen compounds, Russ. Chem. Rev., 1986, 55, 912. [all data]

Kolesov, Vorob'ev, et al., 1974
Kolesov, V.P.; Vorob'ev, V.N.; Sarzhina, E.A.; Pentin, Yu.A.; Timoshenkova, Yu.D., Heat capacity from 12 to 300 K, phase transitions, and thermodynamic functions of 1,1,1-trifluoro-3-chloropropane and 1,1,1,3-tetrachloropropane, J. Chem. Thermodynam., 1974, 6, 613-628. [all data]

Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]

Joyce, Hanford, et al., 1948
Joyce, R.M.; Hanford, W.E.; Harmon, J., J. Am. Chem. Soc., 1948, 70, 2529. [all data]

Stevens, 1946
Stevens, P.G., Some New Cyclopropanes with A Note on the Exterior Valence Angles of Cyclopropane, J. Am. Chem. Soc., 1946, 68, 620-2. [all data]

Kolesov, Vorob'ev, et al., 1974, 2
Kolesov, V.P.; Vorob'ev, V.N.; Sarzhina, E.A.; Pentin, Y.A.; Timoshenkova, Yu.D., Heat capacity from 12 to 300 K, phase transitions, and thermodynamic functions of 1,1,1-trifluoro-3-chloropropane and 1,1,1,3-tetrachloropropane, J. Chem. Thermodyn., 1974, 6, 613-28. [all data]

PCR Inc., 1990
PCR Inc., Research Chemicals Catalog 1990-1991, PCR Inc., Gainesville, FL, 1990, 1. [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]

Domalski and Hearing, 1996
Domalski, Eugene S.; Hearing, Elizabeth D., Heat Capacities and Entropies of Organic Compounds in the Condensed Phase. Volume III, J. Phys. Chem. Ref. Data, 1996, 25, 1, 1, https://doi.org/10.1063/1.555985 . [all data]

Notes

Go To: Top, Condensed phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), References

• Symbols used in this document:
  

  Cp,liquid	Constant pressure heat capacity of liquid
  S°liquid	Entropy of liquid at standard conditions
  Tboil	Boiling point
  Ttriple	Triple point temperature
  ΔHtrs	Enthalpy of phase transition
  ΔStrs	Entropy of phase transition
  ΔcH°liquid	Enthalpy of combustion of liquid at standard conditions
  ΔfH°liquid	Enthalpy of formation of liquid at standard conditions
  ΔfusH	Enthalpy of fusion
  ΔfusS	Entropy of fusion
  ΔvapH	Enthalpy of vaporization

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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