Pentafluoroethyl chloride
- Formula: C2ClF5
- Molecular weight: 154.466
- IUPAC Standard InChIKey: RFCAUADVODFSLZ-UHFFFAOYSA-N
- CAS Registry Number: 76-15-3
- 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: Ethane, chloropentafluoro-; F-115; Fluorocarbon 115; Freon 115; FC 115; Genetron 115; Propellant 115; R 115; 1-Chloro-1,1,2,2,2-pentafluoroethane; CF3CF2Cl; Chloropentafluoroethane; Chloroperfluoroethane; Perfluoroethyl chloride; Pentafluorochloroethane; Monochloropentafluoroethane; 1-Chloropentafluoroethane; CFC 115; Ethane, 1-chloro-1,1,2,2,2-pentafluoro-; FKW 115
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Gas 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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | -266.3 ± 2.5 | kcal/mol | Eqk | Taccone, Salinovich, et al., 1989 |
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 by: Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
S°liquid | 59.281 | cal/mol*K | N/A | Aston, Wills, et al., 1955 |
Constant pressure heat capacity of liquid
Cp,liquid (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
34.720 | 234.04 | Aston, Wills, et al., 1955 | T = 15 to 234 K. Value is unsmoothed experimental datum. |
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
DH - Eugene S. Domalski and Elizabeth D. Hearing
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
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 235. to 236. | K | N/A | PCR Inc., 1990 | BS |
Tboil | 235.2 | K | N/A | Weast and Grasselli, 1989 | BS |
Tboil | 235. | K | N/A | Cuculo and Bigelow, 1952 | Uncertainty assigned by TRC = 3. K; TRC |
Tboil | 263. | K | N/A | Park, Benning, et al., 1947 | Uncertainty assigned by TRC = 3. K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 173.71 | K | N/A | Aston, Wills, et al., 1955, 2 | Crystal phase 1 phase; Uncertainty assigned by TRC = 0.05 K; based on To = 273.16 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 352.94 | K | N/A | Yada, Uematsu, et al., 1989 | Uncertainty assigned by TRC = 0.05 K; TRC |
Tc | 353.1 | K | N/A | Mears, Rosenthal. E., et al., 1966 | Uncertainty assigned by TRC = 0.15 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Pc | 30.79 | atm | N/A | Yada, Uematsu, et al., 1989 | Uncertainty assigned by TRC = 0.08 atm; TRC |
Pc | 31.1600 | atm | N/A | Mears, Rosenthal. E., et al., 1966 | Uncertainty assigned by TRC = 0.0700 atm; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ρc | 3.91 | mol/l | N/A | Yada, Uematsu, et al., 1989 | Uncertainty assigned by TRC = 0.03 mol/l; TRC |
ρc | 3.969 | mol/l | N/A | Mears, Rosenthal. E., et al., 1966 | Uncertainty assigned by TRC = 0.0097 mol/l; TRC |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
4.6391 | 234.04 | N/A | Aston, Wills, et al., 1955 | P = 101.325 kPa; DH |
4.71 | 277. | A | Stephenson and Malanowski, 1987 | Based on data from 262. to 317. K.; AC |
4.80 | 250. | A | Stephenson and Malanowski, 1987 | Based on data from 234. to 265. K.; AC |
4.71 | 327. | A | Stephenson and Malanowski, 1987 | Based on data from 312. to 353. K.; AC |
5.00 | 220. | A | Stephenson and Malanowski, 1987 | Based on data from 176. to 235. K. See also Aston, Wills, et al., 1955.; AC |
5.00 | 219. | N/A | Mears, Rosenthal, et al., 1966 | Based on data from 178. to 234. K.; AC |
4.64 ± 0.02 | 234. | C | Aston, Wills, et al., 1955 | AC |
Entropy of vaporization
ΔvapS (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
19.82 | 234.04 | Aston, Wills, et al., 1955 | P; DH |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
0.449 | 173.7 | Domalski and Hearing, 1996 | AC |
Entropy of fusion
ΔfusS (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
7.830 | 80.24 | Domalski and Hearing, 1996 | CAL |
2.579 | 173.7 |
Enthalpy of phase transition
ΔHtrs (kcal/mol) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
0.6281 | 80.24 | crystaline, II | crystaline, I | Aston, Wills, et al., 1955 | DH |
0.4491 | 173.71 | crystaline, I | liquid | Aston, Wills, et al., 1955 | DH |
Entropy of phase transition
ΔStrs (cal/mol*K) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
7.827 | 80.24 | crystaline, II | crystaline, I | Aston, Wills, et al., 1955 | DH |
2.586 | 173.71 | crystaline, I | liquid | Aston, Wills, et al., 1955 | DH |
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
+
= C2BrF5 +
By formula: BrCl + C2ClF5 = C2BrF5 + Cl2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.3 ± 0.6 | kcal/mol | Eqk | Coomber and Whittle, 1967 | gas phase |
IR Spectrum
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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
Gas Phase Spectrum
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Additional Data
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Owner | NIST Standard Reference Data Program Collection (C) 2018 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
Origin | Sadtler Research Labs Under US-EPA Contract |
State | gas |
Mass spectrum (electron ionization)
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, 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 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. |
---|---|
NIST MS number | 5209 |
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.
Taccone, Salinovich, et al., 1989
Taccone, R.A.; Salinovich, O.; Staricco, E.H.,
Kinetic and thermochemical parameters of chlorine atom transfer reactions from CF3Cl, CF3CF2Cl, CF2ClCF2Cl, and CF2ClFCl2 in gas phase,
Int. J. Chem. Kinet., 1989, 21, 331-341. [all data]
Aston, Wills, et al., 1955
Aston, J.G.; Wills, P.E.; Zolki, T.P.,
The heat capacities from 10.9°K., heats of transition, fusion and vaporization, vapor pressures and entropy of pentafluorochloroethane, the barrier hindering internal rotation,
J. Am. Chem. Soc., 1955, 77, 3939-3941. [all data]
PCR Inc., 1990
PCR Inc.,
Research Chemicals Catalog 1990-1991, PCR Inc., Gainesville, FL, 1990, 1. [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]
Cuculo and Bigelow, 1952
Cuculo, J.A.; Bigelow, L.A.,
The Action of elementary Fluorine upon Organic Compounds. XVII. The Direct Fluorination of Acetonitrile,
J. Am. Chem. Soc., 1952, 74, 710. [all data]
Park, Benning, et al., 1947
Park, J.D.; Benning, A.F.; Downing, F.B.; Laucius, J.F.; McHarness, R.C.,
Synthesis of Tetrafluoroethylene. Pyrolysis of Monochlorodifluoromethane,
Ind. Eng. Chem., 1947, 39, 343-8. [all data]
Aston, Wills, et al., 1955, 2
Aston, J.G.; Wills, P.E.; Zolki, T.P.,
The Heat Capacities from 10.9 K, Heats of Transition, Fusion and Vaporization, Vapor PRessures and Entropy of Pentafluorochlorethane, the Barrier Hindering Internal Rotation,
J. Am. Chem. Soc., 1955, 77, 3939. [all data]
Yada, Uematsu, et al., 1989
Yada, N.; Uematsu, M.; Watanabe, K.,
Measurements of the vapor pressure and PVT properties for refrigerant 115,
Nippon Kikai Gakkai Ronbunshu, B-hen, 1989, 55, 2426. [all data]
Mears, Rosenthal. E., et al., 1966
Mears, W.H.; Rosenthal. E.; Sinka, J.V.,
Pressure-Volume-Temperature Behavior of Pentafluoromonochlorethane,
J. Chem. Eng. Data, 1966, 11, 338. [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]
Mears, Rosenthal, et al., 1966
Mears, W.H.; Rosenthal, Eli; Sinka, J.V.,
Pressure - Volume - Temperature Behavior of Pentafluoromonochloroethane.,
J. Chem. Eng. Data, 1966, 11, 3, 338-343, https://doi.org/10.1021/je60030a014
. [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]
Coomber and Whittle, 1967
Coomber, J.W.; Whittle, E.,
Bond dissociation energies from equilibrium studies. Part 3.-D(CF3-Cl), D(C2F5-Cl) and the enthalpy of formation of CF3Cl,
Trans. Faraday Soc., 1967, 63, 2656-2667. [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
- Symbols used in this document:
Cp,liquid Constant pressure heat capacity of liquid Pc Critical pressure S°liquid Entropy of liquid at standard conditions Tboil Boiling point Tc Critical temperature Ttriple Triple point temperature ΔHtrs Enthalpy of phase transition ΔStrs Entropy of phase transition ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfusH Enthalpy of fusion ΔfusS Entropy of fusion ΔrH° Enthalpy of reaction at standard conditions ΔvapH Enthalpy of vaporization ΔvapS Entropy of vaporization ρc Critical density - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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