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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.

Quantity Value Units Method Reference Comment
Deltafgas277.17 ± 0.15kJ/molReviewCox, Wagman, et al., 1984CODATA Review value
Deltafgas276.98kJ/molReviewChase, 1998Data last reviewed in September, 1977
Quantity Value Units Method Reference Comment
gas,1 bar167.829 ± 0.006J/mol*KReviewCox, Wagman, et al., 1984CODATA Review value
gas,1 bar167.83J/mol*KReviewChase, 1998Data last reviewed in September, 1977

Gas Phase Heat Capacity (Shomate Equation)

Cp° = A + B*t + C*t2 + D*t3 + E/t2
H° − H°298.15= A*t + B*t2/2 + C*t3/3 + D*t4/4 − E/t + F − H
S° = A*ln(t) + B*t + C*t2/2 + D*t3/3 − E/(2*t2) + G
    Cp = heat capacity (J/mol*K)
    H° = standard enthalpy (kJ/mol)
    S° = standard entropy (J/mol*K)
    t = temperature (K) / 1000.

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Temperature (K) 882.117 - 1400.1400. - 6000.
A 27.4596816.55345
B -13.327842.400266
C 10.06574-0.255760
D -2.6623810.005821
E -0.0558513.564793
F 269.1149278.4356
G 204.2955194.5447
H 276.9804276.9804
ReferenceChase, 1998Chase, 1998
Comment Data last reviewed in September, 1977 Data last reviewed in September, 1977

Condensed phase thermochemistry data

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, References, Notes

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

Quantity Value Units Method Reference Comment
Deltafliquid1.85kJ/molReviewChase, 1998Data last reviewed in September, 1977
Quantity Value Units Method Reference Comment
liquid,1 bar36.85J/mol*KReviewChase, 1998Data last reviewed in September, 1977
Quantity Value Units Method Reference Comment
solid,1 bar32.054 ± 0.050J/mol*KReviewCox, Wagman, et al., 1984rhombic phase; CODATA Review value

Liquid Phase Heat Capacity (Shomate Equation)

Cp° = A + B*t + C*t2 + D*t3 + E/t2
H° − H°298.15= A*t + B*t2/2 + C*t3/3 + D*t4/4 − E/t + F − H
S° = A*ln(t) + B*t + C*t2/2 + D*t3/3 − E/(2*t2) + G
    Cp = heat capacity (J/mol*K)
    H° = standard enthalpy (kJ/mol)
    S° = standard entropy (J/mol*K)
    t = temperature (K) / 1000.

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Temperature (K) 388.36 - 432.432. - 882.117
A -4540.970-37.93350
B 26065.60133.2420
C -55520.70-95.32450
D 42012.2024.00940
E 54.588607.654530
F 787.807029.78810
G -10826.30-13.15340
H 1.8537811.853781
ReferenceChase, 1998Chase, 1998
Comment Data last reviewed in September, 1977 Data last reviewed in September, 1977

Solid Phase Heat Capacity (Shomate Equation)

Cp° = A + B*t + C*t2 + D*t3 + E/t2
H° − H°298.15= A*t + B*t2/2 + C*t3/3 + D*t4/4 − E/t + F − H
S° = A*ln(t) + B*t + C*t2/2 + D*t3/3 − E/(2*t2) + G
    Cp = heat capacity (J/mol*K)
    H° = standard enthalpy (kJ/mol)
    S° = standard entropy (J/mol*K)
    t = temperature (K) / 1000.

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Temperature (K) 298. - 388.36298. - 388.36
A 21.2197824.23749
B 3.865858-4.983060
C 22.2746133.00900
D -10.31908-15.29616
E -0.122518-0.182237
F -7.085604-7.516263
G 54.9957561.49141
H 0.0000000.360001
ReferenceChase, 1998Chase, 1998
Comment orthorhombic phase; Data last reviewed in September, 1977 monoclinic phase; Data last reviewed in September, 1977

Reaction thermochemistry data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry 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 as indicated in comments:
B - John E. Bartmess
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

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

(HS- bullet 4294967295sulfur) + sulfur = HS-

By formula: (HS- bullet 4294967295S) + S = HS-

Quantity Value Units Method Reference Comment
Deltar502.62kJ/molN/AChaibi, Delsart, et al., 2006gas phase; For H(32)S-. Given: 2.3147282(17) eV; B
Deltar502.83 ± 0.75kJ/molTherBreyer, Frey, et al., 1981gas phase; B
Deltar503.8 ± 9.2kJ/molTherBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale; B
Deltar358.0kJ/molTherShiell, Hu, et al., 1900gas phase; 0K:350.125±0.009 kcal/mol, corr to 298K from Gurvich, Veyts, et al., With EA( Breyer, Frey, et al., 1981)BDE(0K)=89.97±0.05; B

(CAS Reg. No. 12269-52-2 bullet 4294967295sulfur) + sulfur = CAS Reg. No. 12269-52-2

By formula: (CAS Reg. No. 12269-52-2 bullet 4294967295S) + S = CAS Reg. No. 12269-52-2

Quantity Value Units Method Reference Comment
Deltar489. ± 39.kJ/molN/APolak, Fiala, et al., 1991gas phase; «DELTA»Hf(AH) from data on HOS-; B
Deltar485.8 ± 8.8kJ/molTherFeldman, 1970gas phase; B

(CAS Reg. No. 66524-41-2 bullet 4294967295sulfur) + sulfur = CAS Reg. No. 66524-41-2

By formula: (CAS Reg. No. 66524-41-2 bullet 4294967295S) + S = CAS Reg. No. 66524-41-2

Quantity Value Units Method Reference Comment
Deltar349. ± 9.6kJ/molN/AHunsicker, Jones, et al., 1995gas phase; Vertical Detachment Energy: 3.55 eV. An isomer exists with EA=2.26 eV; B

(CAS Reg. No. 66524-43-4 bullet 4294967295sulfur) + sulfur = CAS Reg. No. 66524-43-4

By formula: (CAS Reg. No. 66524-43-4 bullet 4294967295S) + S = CAS Reg. No. 66524-43-4

Quantity Value Units Method Reference Comment
Deltar262. ± 9.2kJ/molN/AHunsicker, Jones, et al., 1995gas phase; Vertical Detachment Energy: 3.55 eV. An isomer exists with EA=2.26 eV; B

Carbonyl sulfide = Carbon monoxide + sulfur

By formula: COS = CO + S

Quantity Value Units Method Reference Comment
Deltar32.5 ± 0.3kJ/molEqkBechtold, 1965gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = 30.3 kJ/mol; ALS

(CAS Reg. No. 12597-11-4 bullet 4294967295sulfur) + sulfur = CAS Reg. No. 12597-11-4

By formula: (CAS Reg. No. 12597-11-4 bullet 4294967295S) + S = CAS Reg. No. 12597-11-4

Quantity Value Units Method Reference Comment
Deltar336. ± 7.5kJ/molN/AHunsicker, Jones, et al., 1995gas phase; Vertical Detachment Energy: 2.97±0.03 eV); B

(CAS Reg. No. 37301-16-9 bullet 4294967295sulfur) + sulfur = CAS Reg. No. 37301-16-9

By formula: (CAS Reg. No. 37301-16-9 bullet 4294967295S) + S = CAS Reg. No. 37301-16-9

Quantity Value Units Method Reference Comment
Deltar298. ± 6.3kJ/molN/AHunsicker, Jones, et al., 1995gas phase; Vertical Detachment Energy: 2.42±0.05 eV); B

(CAS Reg. No. 184378-98-1 bullet 4294967295sulfur) + sulfur = CAS Reg. No. 184378-98-1

By formula: (CAS Reg. No. 184378-98-1 bullet 4294967295S) + S = CAS Reg. No. 184378-98-1

Quantity Value Units Method Reference Comment
Deltar329. ± 7.9kJ/molN/AHunsicker, Jones, et al., 1995gas phase; Vertical Detachment Energy: 3.87 eV.; B

(S2- bullet 4294967295sulfur) + sulfur = S2-

By formula: (S2- bullet 4294967295S) + S = S2-

Quantity Value Units Method Reference Comment
Deltar388. ± 22.kJ/molN/AMoran and Ellison, 1988gas phase; B

(S3- bullet 4294967295sulfur) + sulfur = S3-

By formula: (S3- bullet 4294967295S) + S = S3-

Quantity Value Units Method Reference Comment
Deltar302. ± 22.kJ/molN/ANimlos and Ellison, 1986gas phase; B

(FS- bullet 4294967295sulfur) + sulfur = FS-

By formula: (FS- bullet 4294967295S) + S = FS-

Quantity Value Units Method Reference Comment
Deltar236. ± 6.3kJ/molN/APolak, Gilles, et al., 1992gas phase; B

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, Notes

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

Cox, Wagman, et al., 1984
Cox, J.D.; Wagman, D.D.; Medvedev, V.A., CODATA Key Values for Thermodynamics, Hemisphere Publishing Corp., New York, 1984, 1. [all data]

Chase, 1998
Chase, M.W., Jr., NIST-JANAF Themochemical Tables, Fourth Edition, J. Phys. Chem. Ref. Data, Monograph 9, 1998, 1-1951. [all data]

Chaibi, Delsart, et al., 2006
Chaibi, W.; Delsart, C.; Drag, C.; Blondel, C., High precision measurement of the (SH)-S-32 electron affinity by laser detachment microscopy, J. Molec. Spectros., 2006, 239, 1, 11-15, https://doi.org/10.1016/j.jms.2006.05.012 . [all data]

Breyer, Frey, et al., 1981
Breyer, F.; Frey, P.; Hotop, H., High Resolution Photoelectron Spectrometry of Negative Ions: Rotational Transitions in Laser-Photodetachment of OH-, SH-, and SD-, Z. Phys. A, 1981, 300, 1, 7, https://doi.org/10.1007/BF01412609 . [all data]

Bartmess, Scott, et al., 1979
Bartmess, J.E.; Scott, J.A.; McIver, R.T., Jr., The gas phase acidity scale from methanol to phenol, J. Am. Chem. Soc., 1979, 101, 6047. [all data]

Shiell, Hu, et al., 1900
Shiell, R.C.; Hu, X.K.; Hu, Q.J.; Hepburn, J.W., A determination of the bond dissociation energy (D-0(H-SH)): Threshold ion-pair production spectroscopy (TIPPS) of a triatomic molecule, J. Phys. Chem. A, 1900, 104, 19, 4339-4342, https://doi.org/10.1021/jp000025k . [all data]

Gurvich, Veyts, et al.
Gurvich, L.V.; Veyts, I.V.; Alcock, C.B., Hemisphere Publishing, NY, 1989, V. 1 2, Thermodynamic Properties of Individual Substances, 4th Ed. [all data]

Polak, Fiala, et al., 1991
Polak, M.L.; Fiala, B.L.; Lineberger, W.C.; Ervin, K.M., The Ultraviolet Photoelectron Spectrum of SO-, J. Chem. Phys., 1991, 94, 10, 6926, https://doi.org/10.1063/1.460223 . [all data]

Feldman, 1970
Feldman, D., Photoablosung von Elektronen bei einigen Stabilen Negativen Ionen, Z. Naturfor., 1970, 25A, 621. [all data]

Hunsicker, Jones, et al., 1995
Hunsicker, S.; Jones, R.O.; Gantefor, G., Rings and chains in sulfur cluster anions S- to S-9(-): Theory (simulated annealing) and experiment (photoelectron detachment), J. Chem. Phys., 1995, 102, 15, 5917, https://doi.org/10.1063/1.469326 . [all data]

Bechtold, 1965
Bechtold, V.E., Bestimmung des Standardwertes der freien Reaktionsenthalpie für die Bildung von Kohlenoxysulfid aus Kohlenmonoxyd, Ber. Bunsenges. Phys. Chem., 1965, 69, 326-328. [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]

Moran and Ellison, 1988
Moran, S.; Ellison, G.B., Photoelectron Spectroscopy of Sulfur Ions, J. Phys. Chem., 1988, 92, 7, 1794, https://doi.org/10.1021/j100318a021 . [all data]

Nimlos and Ellison, 1986
Nimlos, M.R.; Ellison, G.B., Photoelectron spectroscopy of SO2-, S3-, and S2O-, J. Phys. Chem., 1986, 90, 2574. [all data]

Polak, Gilles, et al., 1992
Polak, M.L.; Gilles, M.K.; Lineberger, W.C., Photoelectron Spectroscopy of SF-, J. Chem. Phys., 1992, 96, 9, 7191, https://doi.org/10.1063/1.462526 . [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, References