Methanethiol, trifluoro-

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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
liquid48.901cal/mol*KN/ADininny and Pace, 1960 

Constant pressure heat capacity of liquid

Cp,liquid (cal/mol*K) Temperature (K) Reference Comment
27.029235.Dininny and Pace, 1960T = 12 to 227 K.

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:
AC - William E. Acree, Jr., James S. Chickos
DH - Eugene S. Domalski and Elizabeth D. Hearing

Enthalpy of vaporization

ΔvapH (kcal/mol) Temperature (K) Method Reference Comment
5.21183.N/ADykyj, Svoboda, et al., 1999Based on data from 167. to 236. K.; AC
5.02221.AStephenson and Malanowski, 1987Based on data from 167. to 236. K. See also Dykyj, Svoboda, et al., 1999.; AC

Enthalpy of fusion

ΔfusH (kcal/mol) Temperature (K) Reference Comment
1.177116.04Dininny and Pace, 1960DH
1.18116.Domalski and Hearing, 1996AC

Entropy of fusion

ΔfusS (cal/mol*K) Temperature (K) Reference Comment
10.14116.04Dininny and Pace, 1960DH

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: John E. Bartmess

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

CF3S- + Hydrogen cation = Methanethiol, trifluoro-

By formula: CF3S- + H+ = CHF3S

Quantity Value Units Method Reference Comment
Δr334.5 ± 2.3kcal/molG+TSKoppel, Pihl, et al., 1994gas phase; Possibly dissociative protonation -> CF2S + HF + A-. See CF3O-. G2: 321.0, Burk, Koppel, et al., 2000
Quantity Value Units Method Reference Comment
Δr327.5 ± 2.0kcal/molIMREKoppel, Pihl, et al., 1994gas phase; Possibly dissociative protonation -> CF2S + HF + A-. See CF3O-. G2: 321.0, Burk, Koppel, et al., 2000

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:
B - John E. Bartmess
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

Ionization energy determinations

IE (eV) Method Reference Comment
11.4 ± 0.1EICullen, Frost, et al., 1969RDSH

De-protonation reactions

CF3S- + Hydrogen cation = Methanethiol, trifluoro-

By formula: CF3S- + H+ = CHF3S

Quantity Value Units Method Reference Comment
Δr334.5 ± 2.3kcal/molG+TSKoppel, Pihl, et al., 1994gas phase; Possibly dissociative protonation -> CF2S + HF + A-. See CF3O-. G2: 321.0, Burk, Koppel, et al., 2000; B
Quantity Value Units Method Reference Comment
Δr327.5 ± 2.0kcal/molIMREKoppel, Pihl, et al., 1994gas phase; Possibly dissociative protonation -> CF2S + HF + A-. See CF3O-. G2: 321.0, Burk, Koppel, et al., 2000; B

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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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 1235

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References

Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry 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.

Dininny and Pace, 1960
Dininny, R.E.; Pace, E.L., Thermodynamic properties of trifluoromethanethiol from 12°K to its boiling point. Entropy from molecular and spectroscopic data, J. Chem. Phys., 1960, 32, 805-809. [all data]

Dykyj, Svoboda, et al., 1999
Dykyj, J.; Svoboda, J.; Wilhoit, R.C.; Frenkel, M.L.; Hall, K.R., Vapor Pressure of Chemicals: Part A. Vapor Pressure and Antoine Constants for Hydrocarbons and Sulfur, Selenium, Tellurium and Hydrogen Containing Organic Compounds, Springer, Berlin, 1999, 373. [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]

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]

Koppel, Pihl, et al., 1994
Koppel, I.A.; Pihl, V.; Koppel, I.A.; Anvia, F.; Taft, R.W., Thermodynamic acidity of (CF3)3CH and 1H-undecafluorobicyclo[2.2.1]heptane: The concept of anionic (fluorine) hyperconjugation, J. Am. Chem. Soc., 1994, 116, 19, 8654, https://doi.org/10.1021/ja00098a027 . [all data]

Burk, Koppel, et al., 2000
Burk, P.; Koppel, I.A.; Rummel, A.; Trummal, A., Can O-H acid be more acidic than its S-H analog? A G2 study of fluoromethanols and fluoromethanethiols, J. Phys. Chem. A, 2000, 104, 7, 1602-1607, https://doi.org/10.1021/jp993487a . [all data]

Cullen, Frost, et al., 1969
Cullen, W.R.; Frost, D.C.; Vroom, D.A., Ionization potentials of some sulfur compounds, Inorg. Chem., 1969, 8, 1803. [all data]


Notes

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