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Pentafluoroethyl chloride

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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-266.3 ± 2.5kcal/molEqkTaccone, 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
liquid59.281cal/mol*KN/AAston, Wills, et al., 1955 

Constant pressure heat capacity of liquid

Cp,liquid (cal/mol*K) Temperature (K) Reference Comment
34.720234.04Aston, Wills, et al., 1955T = 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, Kenneth Kroenlein 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
Tboil235. - 236.KN/APCR Inc., 1990BS
Tboil235.2KN/AWeast and Grasselli, 1989BS
Tboil235.KN/ACuculo and Bigelow, 1952Uncertainty assigned by TRC = 3. K; TRC
Tboil263.KN/APark, Benning, et al., 1947Uncertainty assigned by TRC = 3. K; TRC
Quantity Value Units Method Reference Comment
Ttriple173.71KN/AAston, Wills, et al., 1955, 2Crystal phase 1 phase; Uncertainty assigned by TRC = 0.05 K; based on To = 273.16 K; TRC
Quantity Value Units Method Reference Comment
Tc352.94KN/AYada, Uematsu, et al., 1989Uncertainty assigned by TRC = 0.05 K; TRC
Tc353.1KN/AMears, Rosenthal. E., et al., 1966Uncertainty assigned by TRC = 0.15 K; TRC
Quantity Value Units Method Reference Comment
Pc30.79atmN/AYada, Uematsu, et al., 1989Uncertainty assigned by TRC = 0.08 atm; TRC
Pc31.1600atmN/AMears, Rosenthal. E., et al., 1966Uncertainty assigned by TRC = 0.0700 atm; TRC
Quantity Value Units Method Reference Comment
rhoc3.91mol/lN/AYada, Uematsu, et al., 1989Uncertainty assigned by TRC = 0.03 mol/l; TRC
rhoc3.969mol/lN/AMears, Rosenthal. E., et al., 1966Uncertainty assigned by TRC = 0.0097 mol/l; TRC

Enthalpy of vaporization

DeltavapH (kcal/mol) Temperature (K) Method Reference Comment
4.6391234.04N/AAston, Wills, et al., 1955P = 101.325 kPa; DH
4.71277.AStephenson and Malanowski, 1987Based on data from 262. - 317. K.; AC
4.80250.AStephenson and Malanowski, 1987Based on data from 234. - 265. K.; AC
4.71327.AStephenson and Malanowski, 1987Based on data from 312. - 353. K.; AC
5.00220.AStephenson and Malanowski, 1987Based on data from 176. - 235. K. See also Aston, Wills, et al., 1955.; AC
5.00219.N/AMears, Rosenthal, et al., 1966Based on data from 178. - 234. K.; AC
4.64 ± 0.02234.CAston, Wills, et al., 1955AC

Entropy of vaporization

DeltavapS (cal/mol*K) Temperature (K) Reference Comment
19.82234.04Aston, Wills, et al., 1955P; DH

Enthalpy of fusion

DeltafusH (kcal/mol) Temperature (K) Reference Comment
0.449173.7Domalski and Hearing, 1996AC

Entropy of fusion

DeltafusS (cal/mol*K) Temperature (K) Reference Comment
7.83080.24Domalski and Hearing, 1996CAL
2.579173.7

Enthalpy of phase transition

DeltaHtrs (kcal/mol) Temperature (K) Initial Phase Final Phase Reference Comment
0.628180.24crystaline, IIcrystaline, IAston, Wills, et al., 1955DH
0.4491173.71crystaline, IliquidAston, Wills, et al., 1955DH

Entropy of phase transition

DeltaStrs (cal/mol*K) Temperature (K) Initial Phase Final Phase Reference Comment
7.82780.24crystaline, IIcrystaline, IAston, Wills, et al., 1955DH
2.586173.71crystaline, IliquidAston, Wills, et al., 1955DH

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

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

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

bromine chloride + Pentafluoroethyl chloride = C2BrF5 + Chlorine

By formula: BrCl + C2ClF5 = C2BrF5 + Cl2

Quantity Value Units Method Reference Comment
Deltar10.3 ± 0.6kcal/molEqkCoomber and Whittle, 1967gas phase

IR Spectrum

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction 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 by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Gas Phase Spectrum

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IR spectrum
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Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.

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

This IR spectrum is from the NIST/EPA Gas-Phase Infrared Database .


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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Mass spectrum
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Additional Data

View image of digitized spectrum (can be printed in landscape orientation).

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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.
NIST MS number 5209

All mass spectra in this site (plus many more) are available from the NIST/EPA/NIH Mass Spectral Library. Please see the following for information about the library and its accompanying search program.


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