Methane, isothiocyanato-

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

Quantity Value Units Method Reference Comment
Δfsolid79.6 ± 1.3kJ/molCcrSunner, 1963Correction of Sunner, 1955
Quantity Value Units Method Reference Comment
Δcsolid-1897.4kJ/molCcrSunner, 1963Correction of Sunner, 1955

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

Quantity Value Units Method Reference Comment
Δvap37.3kJ/molN/ABauer and Burschkies, 2006Based on data from 283. to 323. K. See also Boublik, Fried, et al., 1984.; AC

Enthalpy of vaporization

ΔvapH (kJ/mol) Temperature (K) Method Reference Comment
37.4324.AStephenson and Malanowski, 1987Based on data from 309. to 392. K. See also Dykyj, Svoboda, et al., 1999.; 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
283. to 323.0.15756129.47-217.547Bauer and Burschkies, 1935Coefficents calculated by NIST from author's data.

Enthalpy of sublimation

ΔsubH (kJ/mol) Temperature (K) Method Reference Comment
31.5266.AStull, 1947Based on data from 238. to 293. K.; AC

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 evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias

Data compiled as indicated in comments:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

Quantity Value Units Method Reference Comment
Proton affinity (review)799.2kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity766.7kJ/molN/AHunter and Lias, 1998HL

Ionization energy determinations

IE (eV) Method Reference Comment
9.13 ± 0.15EIHobrock, Shenkel, et al., 1963RDSH
9.25 ± 0.03PIWatanabe, Nakayama, et al., 1962RDSH
9.37 ± 0.02PECradock, Ebsworth, et al., 1972Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
NS?+12.5 ± 0.2?EIHobrock, Shenkel, et al., 1963RDSH
CHS+12.9 ± 0.2?EIHobrock, Shenkel, et al., 1963RDSH
CH3+15.3 ± 0.3?EIHobrock, Shenkel, et al., 1963RDSH
CNS+14.9 ± 0.5?EIHobrock, Shenkel, et al., 1963RDSH
CS+15.6 ± 0.4?EIHobrock, Shenkel, et al., 1963RDSH
C2H2NS+11.9 ± 0.2HEIHobrock, Shenkel, et al., 1963RDSH
C2NS+14.1 ± 0.3?EIHobrock, Shenkel, et al., 1963RDSH

References

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

Sunner, 1963
Sunner, S., Corrected heat of combustion and formation values for a number of organic sulphur compounds, Acta Chem. Scand., 1963, 17, 728-730. [all data]

Sunner, 1955
Sunner, S., Thermochemical investigation on organic sulfur compounds IV. On thermochemical sulfur bond energy terms, Acta Chem. Scand., 1955, 9, 837-846. [all data]

Bauer and Burschkies, 2006
Bauer, Hugo; Burschkies, Karl, Sättigungsdrucke einiger Senföle und Sulfide, Ber. dtsch. Chem. Ges. A/B, 2006, 68, 6, 1238-1243, https://doi.org/10.1002/cber.19350680645 . [all data]

Boublik, Fried, et al., 1984
Boublik, T.; Fried, V.; Hala, E., The Vapour Pressures of Pure Substances: Selected Values of the Temperature Dependence of the Vapour Pressures of Some Pure Substances in the Normal and Low Pressure Region, 2nd ed., Elsevier, New York, 1984, 972. [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]

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]

Bauer and Burschkies, 1935
Bauer, H.; Burschkies, K., Sattigungsdrucke einiger Senfole und Sulfide, Ber. Dtsch. Chem. Ges., 1935, 68, 6, 1238-1243, https://doi.org/10.1002/cber.19350680645 . [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]

Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G., Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update, J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018 . [all data]

Hobrock, Shenkel, et al., 1963
Hobrock, B.G.; Shenkel, R.C.; Kiser, R.W., Singly and doubly-charged ions from methyl and ethyl isothiocyanates by electron impact, J. Phys. Chem., 1963, 67, 1684. [all data]

Watanabe, Nakayama, et al., 1962
Watanabe, K.; Nakayama, T.; Mottl, J., Ionization potentials of some molecules, J. Quant. Spectry. Radiative Transfer, 1962, 2, 369. [all data]

Cradock, Ebsworth, et al., 1972
Cradock, S.; Ebsworth, E.A.V.; Murdoch, J.D., Photoelectron spectra of some Group 4 pseudohalides and related compounds, J. Chem. Soc. Faraday Trans. 2, 1972, 68, 86. [all data]


Notes

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