Disulfide, diphenyl


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 as indicated in comments:
DRB - Donald R. Burgess, Jr.
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Δfgas246.0kJ/molN/AMetzger, Kuo, et al., 1983Value computed using ΔfHsolid° value of 151.1 kj/mol from Metzger, Kuo, et al., 1983 and ΔsubH° value of 94.9 kj/mol from Mackle and Mayrick, 1962.; DRB
Δfgas244. ± 4.2kJ/molCcbMackle and Mayrick, 1962Hfusion=3.9±0.5 kcal/mol; ALS

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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Δfsolid151.06kJ/molCcrMetzger, Kuo, et al., 1983 
Δfsolid149.1 ± 2.7kJ/molCcbMackle and Mayrick, 1962Hfusion=3.9±0.5 kcal/mol
Quantity Value Units Method Reference Comment
Δcsolid-7503.18kJ/molCcrMetzger, Kuo, et al., 1983 
Δcsolid-7504.4 ± 2.7kJ/molCcbMackle and Mayrick, 1962Hfusion=3.9±0.5 kcal/mol

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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.

Quantity Value Units Method Reference Comment
Tfus333.5KN/ASnyder and Geller, 1952Uncertainty assigned by TRC = 1. K; TRC
Quantity Value Units Method Reference Comment
Δvap78.7 ± 2.9kJ/molN/AMackle and Mayrick, 1962, 2AC
Quantity Value Units Method Reference Comment
Δsub95. ± 2.kJ/molCMackle and Mayrick, 1962Hfusion=3.9±0.5 kcal/mol; ALS
Δsub94.9kJ/molN/AMackle and Mayrick, 1962DRB

Enthalpy of vaporization

ΔvapH (kJ/mol) Temperature (K) Method Reference Comment
72.4420.N/ADykyj, Svoboda, et al., 1999Based on data from 405. to 583. K.; AC
74.4419.AStephenson and Malanowski, 1987Based on data from 404. to 583. K. See also Stull, 1947.; AC

Antoine Equation Parameters

log10(P) = A − (B / (T + C))
    P = vapor pressure (bar)
    T = temperature (K)

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Temperature (K) A B C Reference Comment
404.8 to 583.6.773014039.90714.034Stull, 1947Coefficents calculated by NIST from author's data.

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:
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

Ionization energy determinations

IE (eV) Method Reference Comment
9.4 ± 0.3EIGal'perin, Bogolyubov, et al., 1969RDSH
8.3PEGiordon and Bock, 1982Vertical value; LBLHLM

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
CHS+21.0 ± 0.3?EIGal'perin, Bogolyubov, et al., 1969RDSH
C2H3S+20.5 ± 0.3?EIBogolyubov, Plotnikov, et al., 1969RDSH
C3H3S+18.6 ± 0.3?EIGal'perin, Bogolyubov, et al., 1969RDSH
C4H2+23.6 ± 0.3?EIGal'perin, Bogolyubov, et al., 1969RDSH
C4H3+20.5 ± 0.3?EIGal'perin, Bogolyubov, et al., 1969RDSH
C4H3S+19.0 ± 0.3?EIGal'perin, Bogolyubov, et al., 1969RDSH
C4H4S+14.1 ± 0.3?EIGal'perin, Bogolyubov, et al., 1969RDSH
C5H3+22.2 ± 0.3?EIGal'perin, Bogolyubov, et al., 1969RDSH
C5H4S+15.5 ± 0.3?EIGal'perin, Bogolyubov, et al., 1969RDSH
C5H5S+17.2 ± 0.3?EIGal'perin, Bogolyubov, et al., 1969RDSH
C6H5S+14.4 ± 0.3?EIGal'perin, Bogolyubov, et al., 1969RDSH
C6H6S+11.6 ± 0.3?EIGal'perin, Bogolyubov, et al., 1969RDSH
C11H7S+13.8 ± 0.3?EIGal'perin, Bogolyubov, et al., 1969RDSH
C12H8S+14.8 ± 0.3?EIGal'perin, Bogolyubov, et al., 1969RDSH
C12H9S+12.6 ± 0.3?EIGal'perin, Bogolyubov, et al., 1969RDSH

IR Spectrum

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Data compiled by: Coblentz Society, Inc.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director


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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Mass spectrum
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Additional Data

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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.
Origin Chemical Concepts
NIST MS number 185623

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References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), NIST Free Links, NIST Subscription Links, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Metzger, Kuo, et al., 1983
Metzger, R.M.; Kuo, C.S.; Arafat, E.S., A semi-micro rotating-bomb combustion calorimeter, J. Chem. Thermodyn., 1983, 15, 841-851. [all data]

Mackle and Mayrick, 1962
Mackle, H.; Mayrick, R.G., Studies in thermochemistry of organic sulphides. Part 3.-The gas-phase heats of formation of diphenyl sulphide, dibenzyl sulphide, diphenyl disulphide,4-thia-1-hexene and 4-thia-5,5-dimethyl-1-hexene, Trans. Faraday Soc., 1962, 58, 238-243. [all data]

Snyder and Geller, 1952
Snyder, H.R.; Geller, H.C., Cleavage of Sulfonamides with Aqueous Hydrobromic Acid and Phenol II., J. Am. Chem. Soc., 1952, 74, 4864. [all data]

Mackle and Mayrick, 1962, 2
Mackle, H.; Mayrick, R.G., Studies in the thermochemistry of organic sulphides. Part 3.?The gas-phase heats of formation of diphenyl sulphide, dibenzyl sulphide, diphenyl disulphide, 4-thia-1-hexene and 4-thia-5,5-dimethyl-1-hexene, Trans. Faraday Soc., 1962, 58, 238, https://doi.org/10.1039/tf9625800238 . [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]

Stull, 1947
Stull, Daniel R., Vapor Pressure of Pure Substances. Organic and Inorganic Compounds, Ind. Eng. Chem., 1947, 39, 4, 517-540, https://doi.org/10.1021/ie50448a022 . [all data]

Gal'perin, Bogolyubov, et al., 1969
Gal'perin, Ya.V.; Bogolyubov, G.M.; Grishin, N.N.; Petrov, A.A., Organic derivatives of elements of groups V and VI. VI. Mass spectra of compounds with S-S bonds, Zh. Obshch. Khim., 1969, 39, 1599, In original 1567. [all data]

Giordon and Bock, 1982
Giordon, J.; Bock, H., Radical ions, 51. Oxidative rearrangement of diphenyl disulfides to thianthrenes, Chem. Ber., 1982, 115, 2548. [all data]

Bogolyubov, Plotnikov, et al., 1969
Bogolyubov, G.M.; Plotnikov, V.F.; Boiko, Yu.A.; Petrov, A.A., Organic derivatives of elements of groups V and VI. IX. Mass spectra of vinylacetylene sulfides, Zh. Obshch. Khim., 1969, 39, 2467, In original 2407. [all data]


Notes

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