Pentafluoroethyl chloride

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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
Δfgas-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, 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
Tboil235. to 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
ρc3.91mol/lN/AYada, Uematsu, et al., 1989Uncertainty assigned by TRC = 0.03 mol/l; TRC
ρc3.969mol/lN/AMears, Rosenthal. E., et al., 1966Uncertainty assigned by TRC = 0.0097 mol/l; TRC

Enthalpy of vaporization

ΔvapH (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. to 317. K.; AC
4.80250.AStephenson and Malanowski, 1987Based on data from 234. to 265. K.; AC
4.71327.AStephenson and Malanowski, 1987Based on data from 312. to 353. K.; AC
5.00220.AStephenson and Malanowski, 1987Based on data from 176. to 235. K. See also Aston, Wills, et al., 1955.; AC
5.00219.N/AMears, Rosenthal, et al., 1966Based on data from 178. to 234. K.; AC
4.64 ± 0.02234.CAston, Wills, et al., 1955AC

Entropy of vaporization

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

Enthalpy of fusion

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

Entropy of fusion

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

Enthalpy of phase transition

ΔHtrs (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

ΔStrs (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

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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

bromine chloride + Pentafluoroethyl chloride = C2BrF5 + Chlorine

By formula: BrCl + C2ClF5 = C2BrF5 + Cl2

Quantity Value Units Method Reference Comment
Δr10.3 ± 0.6kcal/molEqkCoomber and Whittle, 1967gas phase

Henry's Law 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: Rolf Sander

Henry's Law constant (water solution)

kH(T) = H exp(d(ln(kH))/d(1/T) ((1/T) - 1/(298.15 K)))
H = Henry's law constant for solubility in water at 298.15 K (mol/(kg*bar))
d(ln(kH))/d(1/T) = Temperature dependence constant (K)

H (mol/(kg*bar)) d(ln(kH))/d(1/T) (K) Method Reference Comment
0.00038 QN/A missing citation give several references for the Henry's law constants but don't assign them to specific species.
0.000342800.LN/A 
0.00032 VN/A 

Gas phase ion energetics 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: Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

Ionization energy determinations

IE (eV) Method Reference Comment
12.6PEDoucet, Sauvageau, et al., 1975 
12.96PEDoucet, Sauvageau, et al., 1975Vertical value

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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IR 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

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, Henry's Law data, Gas phase ion energetics data, IR Spectrum, Gas Chromatography, 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

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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

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.


Gas Chromatography

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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

Normal alkane RI, non-polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryPorapack Q270.Zenkevich and Rodin, 2004Program: not specified

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, 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]

Doucet, Sauvageau, et al., 1975
Doucet, J.; Sauvageau, P.; Sandorfy, C., Photoelectron far-ultraviolet absorption spectra of chlorofluoro derivatives of ethane, J. Chem. Phys., 1975, 62, 355. [all data]

Zenkevich and Rodin, 2004
Zenkevich, I.G.; Rodin, A.A., Gas chromatographic identification of some volatile toxic fluorine containing compounds by precalculated retention indices, J. Ecol. Chem. (Rus.), 2004, 13, 1, 22-28. [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, References