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Propane, 2,2-dichloro-

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Gas phase thermochemistry data

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

Quantity Value Units Method Reference Comment
Deltafgas-176.7kJ/molEqkShevtsova, Rozhnov, et al., 1970Heat of Dehydrochlorination at 392 K
Deltafgas-173. ± 8.8kJ/molCcbSmith, Bjellerup, et al., 1953Heat of formation derived by Cox and Pilcher, 1970

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

Quantity Value Units Method Reference Comment
Deltafliquid-206. ± 8.4kJ/molCcbSmith, Bjellerup, et al., 1953Heat of formation derived by Cox and Pilcher, 1970; ALS
Quantity Value Units Method Reference Comment
Deltacliquid-1879.5 ± 8.4kJ/molCcbSmith, Bjellerup, et al., 1953Reanalyzed by Cox and Pilcher, 1970, Original value = -1875. ± 8. kJ/mol; ALS

Constant pressure heat capacity of liquid

Cp,liquid (J/mol*K) Temperature (K) Reference Comment
151.4270.Van Miltenburg, 1972T = 137 to 267 K.; DH

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
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
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

Quantity Value Units Method Reference Comment
Tboil342.4 ± 0.5KAVGN/AAverage of 7 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus240.2KN/ASilver and Rudman, 1970Crystal phase 1 phase; Uncertainty assigned by TRC = 1. K; Temp. for cryst. of liquid to C1 was 226.7 K; TRC
Tfus238.8KN/ATurkevich and Smyth, 1940Crystal phase 1 phase; Uncertainty assigned by TRC = 0.4 K; TRC
Tfus238.5KN/AVan de Vloed, 1939Uncertainty assigned by TRC = 0.6 K; TRC
Quantity Value Units Method Reference Comment
Ttriple239.25KN/Avan Miltenburg, 1972Crystal phase 1 phase; Uncertainty assigned by TRC = 0.05 K; TRC
Quantity Value Units Method Reference Comment
Deltavap32.1kJ/molAVarushchenko, Loseva, et al., 1987Based on data from 295. - 340. K. See also Basarová and Svoboda, 1991.; AC
Deltavap33. ± 1.kJ/molESmith, Bjellerup, et al., 1953Heat of formation derived by Cox and Pilcher, 1970; ALS

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
33.2282.AStephenson and Malanowski, 1987Based on data from 267. - 378. K. See also Dykyj, 1970.; AC

Enthalpy of fusion

DeltafusH (kJ/mol) Temperature (K) Reference Comment
10.0239.6Kobashi and Oguni, 1999AC
2.34239.3Domalski and Hearing, 1996AC

Entropy of fusion

DeltafusS (J/mol*K) Temperature (K) Reference Comment
31.8188.Domalski and Hearing, 1996CAL
9.62239.3

Enthalpy of phase transition

DeltaHtrs (kJ/mol) Temperature (K) Initial Phase Final Phase Reference Comment
5.979188.crystaline, IIcrystaline, IVan Miltenburg, 1972Temperature not certain; give explicitly as 184.8 K and in table as 188 K.; DH
2.341239.25crystaline, IliquidVan Miltenburg, 1972DH

Entropy of phase transition

DeltaStrs (J/mol*K) Temperature (K) Initial Phase Final Phase Reference Comment
31.8188.crystaline, IIcrystaline, IVan Miltenburg, 1972Temperature; DH
9.8239.25crystaline, IliquidVan Miltenburg, 1972DH

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:


Reaction 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 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

Propane, 2,2-dichloro- = 1-Propene, 2-chloro- + Hydrogen chloride

By formula: C3H6Cl2 = C3H5Cl + HCl

Quantity Value Units Method Reference Comment
Deltar65.1kJ/molEqkLevanova, Rodova, et al., 1983liquid phase; Flow reactor
Deltar59.8 ± 0.8kJ/molEqkShevtsova, Rozhnov, et al., 1970gas phase; Heat of Dehydrochlorination at 392 K

22-bromo-2-chloropropane = Propane, 2,2-dibromo- + Propane, 2,2-dichloro-

By formula: 2C3H6BrCl = C3H6Br2 + C3H6Cl2

Quantity Value Units Method Reference Comment
Deltar-1.3kJ/molEqkLevanova, Rodova, et al., 1983liquid phase; Flow reactor

1-Propene, 2-chloro- + Hydrogen chloride = Propane, 2,2-dichloro-

By formula: C3H5Cl + HCl = C3H6Cl2

Quantity Value Units Method Reference Comment
Deltar59.8 ± 0.8kJ/molEqkShevtsova, Rozhnov, et al., 1970gas phase

IR Spectrum

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Data compiled by: Coblentz Society, Inc.


Mass spectrum (electron ionization)

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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 by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

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Additional Data

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Owner NIST Mass Spectrometry Data Center
Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin Japan AIST/NIMC Database- Spectrum MS-NW-4425
NIST MS number 229628

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References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, 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.

Shevtsova, Rozhnov, et al., 1970
Shevtsova, L.A.; Rozhnov, A.M.; Andreevskii, D.N., Equilibrium Dehydrochlorination of 2,2-dichloropropane, Russ. J. Phys. Chem. (Engl. Transl.), 1970, 44, 852-855. [all data]

Smith, Bjellerup, et al., 1953
Smith, L.; Bjellerup, L.; Krook, S.; Westermark, H., Heats of combustion of organic chloro compounds determined by the "quartz wool" method, Acta Chem. Scand., 1953, 7, 65. [all data]

Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G., Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]

Van Miltenburg, 1972
Van Miltenburg, J.C., Construction of an adiabatic calorimeter. Thermodynamic properties of standard n-heptane from 155 to 270K and of 2,2-dichloropropane from 135 to 270K, J. Chem. Thermodynam., 1972, 4, 773-782. [all data]

Silver and Rudman, 1970
Silver, L.; Rudman, R., Polymorphism of the Crystalline Methylchloromethane Compounds. A Differential Scanning Calorimetric Study, J. Phys. Chem., 1970, 74, 3134-9. [all data]

Turkevich and Smyth, 1940
Turkevich, A.; Smyth, C.P., Molecular Rotation and Polymorphism in the Methyl Chloromethanes, J. Am. Chem. Soc., 1940, 62, 2468-74. [all data]

Van de Vloed, 1939
Van de Vloed, A., Bull. Soc. Chim. Belg., 1939, 48, 229. [all data]

van Miltenburg, 1972
van Miltenburg, J.C., Construction of an adiabatic calorimeter. Thermodynamic properties of stan- dard n-heptane from 155 to 270 K and of 2,2-dichloropropane from 135 to 270 K., J. Chem. Thermodyn., 1972, 4, 773-82. [all data]

Varushchenko, Loseva, et al., 1987
Varushchenko, R.M.; Loseva, O.L.; Druzhinina, A.I., Zh. Fiz. Khim., 1987, 61, 31. [all data]

Basarová and Svoboda, 1991
Basarová, Pavlína; Svoboda, Václav, Calculation of heats of vaporization of halogenated hydrocarbons from saturated vapour pressure data, Fluid Phase Equilibria, 1991, 68, 13-34, https://doi.org/10.1016/0378-3812(91)85008-I . [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]

Dykyj, 1970
Dykyj, J., Petrochemica, 1970, 10, 2, 51. [all data]

Kobashi and Oguni, 1999
Kobashi, Kazuhisa; Oguni, Masaharu, Thermodynamic Consideration on a Series of Compounds (CH 3 ) n CCl 4- n : Correlation between Molecular Sphericity, Configurational Order/Disorder, and Molecular Packing in Plastically Crystalline and Liquid Phases, J. Phys. Chem. B, 1999, 103, 36, 7687-7694, https://doi.org/10.1021/jp990578z . [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]

Levanova, Rodova, et al., 1983
Levanova, S.V.; Rodova, R.M.; Tereshkina, T.P.; Zabrodina, T.I., Thermocatalytic reactions of bromochloropropanes, Russ. J. Phys. Chem. (Engl. Transl.), 1983, 57, 1142-1146. [all data]


Notes

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