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:


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

Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Henry's Law data, Gas phase ion energetics 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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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

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References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Henry's Law data, Gas phase ion energetics 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.

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]

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]


Notes

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