Propane, 2,2-dichloro-
- Formula: C3H6Cl2
- Molecular weight: 112.986
- IUPAC Standard InChIKey: ZEOVXNVKXIPWMS-UHFFFAOYSA-N
- CAS Registry Number: 594-20-7
- 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: Dimethyldichloromethane; 2,2-Dichloropropane
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Condensed phase thermochemistry data
Go To: Top, Phase change data, 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 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 | -49.2 ± 2.0 | kcal/mol | Ccb | Smith, Bjellerup, et al., 1953 | Heat of formation derived by Cox and Pilcher, 1970; ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°liquid | -449.2 ± 2.0 | kcal/mol | Ccb | Smith, Bjellerup, et al., 1953 | Reanalyzed by Cox and Pilcher, 1970, Original value = -448. ± 2. kcal/mol; ALS |
Constant pressure heat capacity of liquid
Cp,liquid (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
36.19 | 270. | Van Miltenburg, 1972 | T = 137 to 267 K.; DH |
Phase change data
Go To: Top, Condensed phase thermochemistry data, 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 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 |
---|---|---|---|---|---|
Tboil | 342.4 ± 0.5 | K | AVG | N/A | Average of 7 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 240.2 | K | N/A | Silver and Rudman, 1970 | Crystal phase 1 phase; Uncertainty assigned by TRC = 1. K; Temp. for cryst. of liquid to C1 was 226.7 K; TRC |
Tfus | 238.8 | K | N/A | Turkevich and Smyth, 1940 | Crystal phase 1 phase; Uncertainty assigned by TRC = 0.4 K; TRC |
Tfus | 238.5 | K | N/A | Van de Vloed, 1939 | Uncertainty assigned by TRC = 0.6 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 239.25 | K | N/A | van Miltenburg, 1972 | Crystal phase 1 phase; Uncertainty assigned by TRC = 0.05 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 7.67 | kcal/mol | A | Varushchenko, Loseva, et al., 1987 | Based on data from 295. to 340. K. See also Basarová and Svoboda, 1991.; AC |
ΔvapH° | 7.8 ± 0.3 | kcal/mol | E | Smith, Bjellerup, et al., 1953 | Heat of formation derived by Cox and Pilcher, 1970; ALS |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
7.93 | 282. | A | Stephenson and Malanowski, 1987 | Based on data from 267. to 378. K. See also Dykyj, 1970.; AC |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
2.39 | 239.6 | Kobashi and Oguni, 1999 | AC |
0.559 | 239.3 | Domalski and Hearing, 1996 | AC |
Entropy of fusion
ΔfusS (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
7.60 | 188. | Domalski and Hearing, 1996 | CAL |
2.30 | 239.3 |
Enthalpy of phase transition
ΔHtrs (kcal/mol) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
1.429 | 188. | crystaline, II | crystaline, I | Van Miltenburg, 1972 | Temperature not certain; give explicitly as 184.8 K and in table as 188 K.; DH |
0.5595 | 239.25 | crystaline, I | liquid | Van Miltenburg, 1972 | DH |
Entropy of phase transition
ΔStrs (cal/mol*K) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
7.60 | 188. | crystaline, II | crystaline, I | Van Miltenburg, 1972 | Temperature; DH |
2.3 | 239.25 | crystaline, I | liquid | Van Miltenburg, 1972 | DH |
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
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Due to licensing restrictions, this spectrum cannot be downloaded.
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 |
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.
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]
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 Tboil Boiling point Tfus Fusion (melting) 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 ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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