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3,3,3-Trifluoropropene

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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
Deltafgas-146.8 ± 1.6kcal/molCcbKolesov, Martinov, et al., 1967Reanalyzed by Cox and Pilcher, 1970, Original value = -144.5 ± 1.6 kcal/mol
Quantity Value Units Method Reference Comment
Deltacgas-366.2 ± 1.6kcal/molCcbKolesov, Martinov, et al., 1967 

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
AC - William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Tboil255.KN/AFarchan Laboratories, 1990BS
Quantity Value Units Method Reference Comment
Tc378.59KN/ADaubert, Jalowka, et al., 1987Uncertainty assigned by TRC = 0.2 K; TRC
Quantity Value Units Method Reference Comment
Pc35.62atmN/ADaubert, Jalowka, et al., 1987Uncertainty assigned by TRC = 0.07 atm; TRC
Quantity Value Units Method Reference Comment
Deltavap5.26kcal/molAStephenson and Malanowski, 1987Based on data from 283. - 363. K.; AC

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:


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 as indicated in comments:
LL - Sharon G. Lias and Joel F. Liebman
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

Ionization energy determinations

IE (eV) Method Reference Comment
10.95ESTTakhistov and Ponomarev, 1994LL
11.24 ± 0.04EISteele and Stone, 1962RDSH
10.9PIBralsford, Harris, et al., 1960RDSH

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
CF3+15.0 ± 0.2?EISteele and Stone, 1962RDSH
CHF2+14.9 ± 0.1?EISteele and Stone, 1962RDSH
C2H2+13.3 ± 0.15?EISteele and Stone, 1962RDSH
C2H3+14.20 ± 0.05?EISteele and Stone, 1962RDSH
C2H3F+13.85 ± 0.02?EISteele and Stone, 1962RDSH
C3HF2+14.8 ± 0.2?EISteele and Stone, 1962RDSH
C3H2F2+13.8 ± 0.1?EISteele and Stone, 1962RDSH
C3H2F3+12.69 ± 0.05HEISteele and Stone, 1962RDSH
C3H3F2+13.3 ± 0.15?EISteele and Stone, 1962RDSH

Mass spectrum (electron ionization)

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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

Spectrum

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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 886

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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, temperature ramp

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Column type Active phase I Reference Comment
CapillaryOV-101315.Zenkevich, 200525. m/0.20 mm/0.10 «mu»m, N2/He, 6. K/min; Tstart: 50. C; Tend: 250. C

References

Go To: Top, Gas phase thermochemistry data, Phase change data, Gas phase ion energetics data, 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.

Kolesov, Martinov, et al., 1967
Kolesov, V.P.; Martinov, A.M.; Skuratov, S.M., Standard enthalpies of formation of 1,1,1-trifluoropropene, Zh. Fiz. Khim., 1967, 41, 913-916. [all data]

Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G., Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]

Farchan Laboratories, 1990
Farchan Laboratories, Research Chemicals Catalog, Farchan Laboratories, Gainesville, FL, 1990, 91. [all data]

Daubert, Jalowka, et al., 1987
Daubert, T.E.; Jalowka, J.W.; Goren, V., Vapor pressure of 22 pure industrial chemicals, AIChE Symp. Ser., 1987, 83, 256, 128-156. [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]

Takhistov and Ponomarev, 1994
Takhistov, V.V.; Ponomarev, D.A., Isodesmic reactions and thermochemistry of ions, Org. Mass Spectrom., 1994, 29, 395. [all data]

Steele and Stone, 1962
Steele, W.C.; Stone, F.G.A., An electron impact study of 1,1,1-trifluoroethane, 1,1,1-trifluoropropane and 3,3,3-trifluoropropene, J. Am. Chem. Soc., 1962, 84, 3450. [all data]

Bralsford, Harris, et al., 1960
Bralsford, R.; Harris, P.V.; Price, W.C., The effect of fluorine on the electronic spectra and ionization potentials of molecules, Proc. Roy. Soc. (London), 1960, A258, 459. [all data]

Zenkevich, 2005
Zenkevich, I.G., Experimentally measured retention indices., 2005. [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), Gas Chromatography, References