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sulfur

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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

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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
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

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 by: Thermodynamics Research Center, NIST Boulder Laboratories, Kenneth Kroenlein director

Quantity Value Units Method Reference Comment
Tc1313.KN/ARau, Kutty, et al., 1973Uncertainty assigned by TRC = 1.31 K
Quantity Value Units Method Reference Comment
Pc182.081barN/ARau, Kutty, et al., 1973Uncertainty assigned by TRC = 0.1818 bar; Vapour pressure measured to 1273 K
Quantity Value Units Method Reference Comment
rhoc17.6mol/lN/ARau, Kutty, et al., 1973Uncertainty assigned by TRC = 0.175 mol/l; Density measured to 1273 K

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:


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 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

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
L - Sharon G. Lias

Data compiled as indicated in comments:
LL - Sharon G. Lias and Joel F. Liebman
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
B - John E. Bartmess

View reactions leading to S+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
IE (evaluated)10.36001eVN/AN/AL
Quantity Value Units Method Reference Comment
Proton affinity (review)664.3kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity640.2kJ/molN/AHunter and Lias, 1998HL

Electron affinity determinations

EA (eV) Method Reference Comment
2.017149 ± 0.000009LPDWells and Yukich, 2009Given: 16269.380(88) Cm-1 or 2.1071466±0.0000109 eV; B
2.077098 ± 0.000044LPDBlondel, Chaibi, et al., 2005(32)S: 2.0771040(9) eV: revised analysis of Blondel, Delsart, et al., 2001; B
2.07 ± 0.13D-EARempala and Ervin, 2000B
2.07720 ± 0.00050LPESLineberger and Woodward, 1970Revised per 1986 CODATA (95BLO) to 2.077104(3) eV; B

Ionization energy determinations

IE (eV) Method Reference Comment
10.36001EVALLide, 1992LL
10.360SKelly, 1987LBLHLM
10.36PEDunlavey, Dyke, et al., 1979LLK
10.4 ± 0.3EISmoes, Drowart, et al., 1978LLK
10.4 ± 0.3EISmoes, Drowart, et al., 1977LLK
10.36SHildenbrand, 1976LLK
10.5 ± 0.3EIHildenbrand, 1976LLK
10.5EIHildenbrand, 1975LLK
10.5 ± 0.3EIHildenbrand, 1975, 2LLK
10.5 ± 0.3EIHildenbrand, 1972LLK
10.3 ± 0.3EIEdwards, Franzen, et al., 1971LLK
10.36001SMoore, 1970RDSH
~11. ± 0.5EICater, Rauh, et al., 1968RDSH

Ion clustering data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, NIST Free Links, References, Notes

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. Searches may be limited to ion clustering reactions. A general reaction search form is also available.

Clustering reactions

(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

(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
Deltar502.83 ± 0.75kJ/molTherBreyer, Frey, et al., 1981gas phase
Deltar503.8 ± 9.2kJ/molTherBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale
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

(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

(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

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, NIST Free Links, 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]

Rau, Kutty, et al., 1973
Rau, H.; Kutty, T.R.N.; Guedes de Carvalho, J.R.F., High temperature saturated vapor pressure of sulphur and the estimation of its critical quantities, J. Chem. Thermodyn., 1973, 5, 291-302. [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]

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]

Wells and Yukich, 2009
Wells, J.E.; Yukich, J.N., Photodetachment spectroscopy from the lowest threshold of S-, Phys. Rev. A, 2009, 80, 5, 055403, https://doi.org/10.1103/PhysRevA.80.055403 . [all data]

Blondel, Chaibi, et al., 2005
Blondel, C.; Chaibi, W.; Delsart, C.; Drag, C.; Goldfarb, F.; Kroger, S., The electron affinities of O, Si, and S revisited with the photodetachment microscope, Eur. Phys. J. D, 2005, 33, 3, 335-342, https://doi.org/10.1140/epjd/e2005-00069-9 . [all data]

Blondel, Delsart, et al., 2001
Blondel, C.; Delsart, C.; Goldfarb, F., Electron spectrometry at the mu eV level and the electron affinities of Si and F, J. Phys. B: Atom. Mol. Opt. Phys., 2001, 34, 9, L281-L288, https://doi.org/10.1088/0953-4075/34/9/101 . [all data]

Rempala and Ervin, 2000
Rempala, K.; Ervin, K.M., Collisional activation of the Endoergic Hydrogen Atom Transfer Reaction S-(2P) + H2 - SH- + H, J. Chem. Phys., 2000, 112, 10, 4579, https://doi.org/10.1063/1.481016 . [all data]

Lineberger and Woodward, 1970
Lineberger, W.C.; Woodward, B.W., High Resolution Photodetachment of S- Near Threshold, Phys. Rev. Lett., 1970, 25, 7, 424, https://doi.org/10.1103/PhysRevLett.25.424 . [all data]

Lide, 1992
Lide, D.R. (Editor), Ionization potentials of atoms and atomic ions in Handbook of Chem. and Phys., 1992, 10-211. [all data]

Kelly, 1987
Kelly, R.L., Atomic and ionic spectrum lines of hydrogen through kryton, J. Phys. Chem. Ref. Data, 1987, 16. [all data]

Dunlavey, Dyke, et al., 1979
Dunlavey, S.; Dyke, J.; Fayad, N.; Jonathan, N.; Morris, A., Vacuum ultraviolet photoelectron spectroscopy of transient species. Part 10. The SH(X2çi) radical and the S(3P) atom, Mol. Phys., 1979, 38, 729. [all data]

Smoes, Drowart, et al., 1978
Smoes, S.; Drowart, J.; Welter, J.M., Thermodynamic study of the vaporization of europium sulfide by the mass spectrometric Knudsen cell method, Adv. Mass Spectrom., 1978, 7, 622. [all data]

Smoes, Drowart, et al., 1977
Smoes, S.; Drowart, J.; Welter, J.M., Thermodynamic study of the vaporization of europium monosulfide by Knudsen-cell mass spectrometry atomization energies of EuS(g), Eu2S(g), EuS2(g), Eu2O(g), Eu2O2(g), Eu2OS(g), and Eu2S2(g), J. Chem. Thermodyn., 1977, 9, 275. [all data]

Hildenbrand, 1976
Hildenbrand, D.L., Thermochemical studies of the gaseous lower valent fluorides of molybdenum, J. Chem. Phys., 1976, 65, 614. [all data]

Hildenbrand, 1975
Hildenbrand, D.L., Dissociation energy and ionization potential of the molecule CF, Chem. Phys. Lett., 1975, 32, 523. [all data]

Hildenbrand, 1975, 2
Hildenbrand, D.L., Thermochemistry of the gaseous tungsten fluorides, Chem. Phys. Lett., 1975, 62, 3074. [all data]

Hildenbrand, 1972
Hildenbrand, D.L., Thermochemistry of the molecules CS and CS+, Chem. Phys. Lett., 1972, 15, 379. [all data]

Edwards, Franzen, et al., 1971
Edwards, J.G.; Franzen, H.F.; Gilles, P.W., High-temperature mass spectrometry, vaporization, and thermodynamics of titanium monosulfide, J. Chem. Phys., 1971, 54, 545. [all data]

Moore, 1970
Moore, C.E., Ionization potentials and ionization limits derived from the analyses of optical spectra, Natl. Stand. Ref. Data Ser., (U.S. Natl. Bur. Stand.), 1970, 34, 1. [all data]

Cater, Rauh, et al., 1968
Cater, E.D.; Rauh, E.G.; Thorn, R.J., Thermochemistry of UOS; evaporation of US-UO2 mixtures; on the attainment of equilibrium in Knudsen cells, J. Chem. Phys., 1968, 49, 5244. [all data]


Notes

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