Propane, 3-chloro-1,1,1-trifluoro-
- Formula: C3H4ClF3
- Molecular weight: 132.512
- IUPAC Standard InChIKey: ZPIFKCVYZBVZIV-UHFFFAOYSA-N
- CAS Registry Number: 460-35-5
- 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: 1,1,1-Trifluoro-3-chloropropane; 3-Chloro-1,1,1-trifluoropropane; 3,3,3-Trifluoro-1-chloropropane; CF3CH2CH2Cl; 1-Chloro-3,3,3-trifluoropropane; Freon 253
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Phase change data
Go To: Top, 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
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 | 319. | K | N/A | PCR Inc., 1990 | BS |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 179.32 | K | N/A | Kolesov, Vorob'ev, et al., 1974 | Crystal phase 1 phase; Uncertainty assigned by TRC = 0.02 K; TRC |
Ttriple | 179.40 | K | N/A | Kolesov and Vorob'ev, 1972 | Crystal phase 1 phase; Uncertainty assigned by TRC = 0.02 K; TRC |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
7.15 | 306. | A | Stephenson and Malanowski, 1987 | Based on data from 297. to 315. K.; AC |
8.05 | 316. | N/A | Varushchenko and Druzhinina, 1972 | Based on data from 301. to 341. K.; AC |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
1.27 | 179.4 | Domalski and Hearing, 1996 | AC |
Entropy of fusion
ΔfusS (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
6.319 | 169.8 | Domalski and Hearing, 1996 | CAL |
6.74 | 179.3 |
Enthalpy of phase transition
ΔHtrs (kcal/mol) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
-0.6049 | 116.0 | crystaline, III | crystaline, II | Kolesov, Vorob'ev, et al., 1974, 2 | Maximum temperature of metastable phase. H obtained from total heat 115 to 137 K, calculated to 116 K. Not reversible.; DH |
1.073 | 169.8 | crystaline, II | crystaline, I | Kolesov, Vorob'ev, et al., 1974, 2 | DH |
1.207 | 179.32 | crystaline, I | liquid | Kolesov, Vorob'ev, et al., 1974, 2 | DH |
-0.60540 | 116.0 | crystaline, III | crystaline, II | Kolesov and Vorob'ev, 1972, 2 | Metastable crystal transition. Non-equilibrium.; DH |
1.073 | 169.8 | crystaline, II | crystaline, I | Kolesov and Vorob'ev, 1972, 2 | DH |
1.270 | 179.40 | crystaline, I | liquid | Kolesov and Vorob'ev, 1972, 2 | DH |
Entropy of phase transition
ΔStrs (cal/mol*K) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
6.319 | 169.8 | crystaline, II | crystaline, I | Kolesov, Vorob'ev, et al., 1974, 2 | DH |
6.730 | 179.32 | crystaline, I | liquid | Kolesov, Vorob'ev, et al., 1974, 2 | DH |
6.319 | 169.8 | crystaline, II | crystaline, I | Kolesov and Vorob'ev, 1972, 2 | DH |
7.079 | 179.40 | crystaline, I | liquid | Kolesov and Vorob'ev, 1972, 2 | DH |
Mass spectrum (electron ionization)
Go To: Top, 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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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 | CARL DJERASSI DEPT OF CHEM STANFORD UNIV STANFORD CALIF 94305 |
NIST MS number | 46513 |
References
Go To: Top, 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.
PCR Inc., 1990
PCR Inc.,
Research Chemicals Catalog 1990-1991, PCR Inc., Gainesville, FL, 1990, 1. [all data]
Kolesov, Vorob'ev, et al., 1974
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]
Kolesov and Vorob'ev, 1972
Kolesov, V.P.; Vorob'ev, V.N.,
Specific heat in the interval 12-300 K and phase changes for some chlorinated 1,1,1-trifluoropropanes,
Dokl. Akad. Nauk SSSR, 1972, 203, 116-9. [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]
Varushchenko and Druzhinina, 1972
Varushchenko, R.M.; Druzhinina, A.I.,
Zh. Fiz. Khim., 1972, 46, 5, 1312. [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]
Kolesov, Vorob'ev, et al., 1974, 2
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]
Kolesov and Vorob'ev, 1972, 2
Kolesov, V.P.; Vorob'ev, V.N.,
Specific heat in the interval 12-300K and phase changes for some chlorinated 1,1,1-trifluoropropanes,
Dokl. Akad. Nauk, 1972, SSSR 203, 116-119. [all data]
Notes
Go To: Top, Phase change data, Mass spectrum (electron ionization), References
- Symbols used in this document:
Tboil Boiling point Ttriple Triple point temperature ΔHtrs Enthalpy of phase transition ΔStrs Entropy of phase transition 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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