sulfur
- Formula: S
- Molecular weight: 32.065
- IUPAC Standard InChIKey: NINIDFKCEFEMDL-UHFFFAOYSA-N
- CAS Registry Number: 7704-34-9
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: Insoluble sulfur; Sulphur; Sulfur atom
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- Information on this page:
- Other data available:
- Data at other public NIST sites:
- NIST Atomic Spectra Database - Lines Holdings (on physics web site)
- NIST Atomic Spectra Database - Levels Holdings (on physics web site)
- NIST Atomic Spectra Database - Ground states and ionization energies (on physics web site)
- Gas Phase Kinetics Database
- X-ray Photoelectron Spectroscopy Database, version 5.0
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Gas phase thermochemistry data
Go To: Top, Condensed 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 |
---|---|---|---|---|---|
ΔfH°gas | 66.245 ± 0.036 | kcal/mol | Review | Cox, Wagman, et al., 1984 | CODATA Review value |
ΔfH°gas | 66.200 | kcal/mol | Review | Chase, 1998 | Data last reviewed in September, 1977 |
Quantity | Value | Units | Method | Reference | Comment |
S°gas,1 bar | 40.112 ± 0.001 | cal/mol*K | Review | Cox, Wagman, et al., 1984 | CODATA Review value |
S°gas,1 bar | 40.112 | cal/mol*K | Review | Chase, 1998 | Data 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 (cal/mol*K)
H° = standard enthalpy (kcal/mol)
S° = standard entropy (cal/mol*K)
t = temperature (K) / 1000.
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Temperature (K) | 882.117 to 1400. | 1400. to 6000. |
---|---|---|
A | 6.563022 | 3.956370 |
B | -3.185431 | 0.573677 |
C | 2.405770 | -0.061128 |
D | -0.636324 | 0.001391 |
E | -0.013349 | 0.852006 |
F | 64.32001 | 66.54771 |
G | 48.82780 | 46.49730 |
H | 66.19990 | 66.19990 |
Reference | Chase, 1998 | Chase, 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 |
---|---|---|---|---|---|
ΔfH°liquid | 0.442 | kcal/mol | Review | Chase, 1998 | Data last reviewed in September, 1977 |
Quantity | Value | Units | Method | Reference | Comment |
S°liquid,1 bar | 8.807 | cal/mol*K | Review | Chase, 1998 | Data last reviewed in September, 1977 |
Quantity | Value | Units | Method | Reference | Comment |
S°solid,1 bar | 7.661 ± 0.012 | cal/mol*K | Review | Cox, Wagman, et al., 1984 | rhombic 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 (cal/mol*K)
H° = standard enthalpy (kcal/mol)
S° = standard entropy (cal/mol*K)
t = temperature (K) / 1000.
View plot Requires a JavaScript / HTML 5 canvas capable browser.
Temperature (K) | 388.36 to 432. | 432. to 882.117 |
---|---|---|
A | -1085.318 | -9.066325 |
B | 6229.828 | 31.84560 |
C | -13269.77 | -22.78310 |
D | 10041.16 | 5.738385 |
E | 13.04699 | 1.829477 |
F | 188.2904 | 7.119527 |
G | -2587.548 | -3.143739 |
H | 0.443064 | 0.443064 |
Reference | Chase, 1998 | Chase, 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 (cal/mol*K)
H° = standard enthalpy (kcal/mol)
S° = standard entropy (cal/mol*K)
t = temperature (K) / 1000.
View plot Requires a JavaScript / HTML 5 canvas capable browser.
Temperature (K) | 298. to 388.36 | 298. to 388.36 |
---|---|---|
A | 5.071650 | 5.792900 |
B | 0.923962 | -1.190980 |
C | 5.323760 | 7.889341 |
D | -2.466320 | -3.655870 |
E | -0.029283 | -0.043556 |
F | -1.693501 | -1.796430 |
G | 13.14430 | 14.69680 |
H | 0.000000 | 0.086042 |
Reference | Chase, 1998 | Chase, 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
By formula: (HS- • 4294967295S) + S = HS-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 120.13 | kcal/mol | N/A | Chaibi, Delsart, et al., 2006 | gas phase; For H(32)S-. Given: 2.3147282(17) eV; B |
ΔrH° | 120.18 ± 0.18 | kcal/mol | Ther | Breyer, Frey, et al., 1981 | gas phase; B |
ΔrH° | 120.4 ± 2.2 | kcal/mol | Ther | Bartmess, Scott, et al., 1979 | gas phase; value altered from reference due to change in acidity scale; B |
ΔrH° | 85.57 | kcal/mol | Ther | Shiell, Hu, et al., 1900 | gas 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 • 4294967295) + = CAS Reg. No. 12269-52-2
By formula: (CAS Reg. No. 12269-52-2 • 4294967295S) + S = CAS Reg. No. 12269-52-2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 116.9 ± 9.3 | kcal/mol | N/A | Polak, Fiala, et al., 1991 | gas phase; ΔHf(AH) from data on HOS-; B |
ΔrH° | 116.1 ± 2.1 | kcal/mol | Ther | Feldman, 1970 | gas phase; B |
(CAS Reg. No. 66524-41-2 • 4294967295) + = CAS Reg. No. 66524-41-2
By formula: (CAS Reg. No. 66524-41-2 • 4294967295S) + S = CAS Reg. No. 66524-41-2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 83.3 ± 2.3 | kcal/mol | N/A | Hunsicker, Jones, et al., 1995 | gas phase; Vertical Detachment Energy: 3.55 eV. An isomer exists with EA=2.26 eV; B |
(CAS Reg. No. 66524-43-4 • 4294967295) + = CAS Reg. No. 66524-43-4
By formula: (CAS Reg. No. 66524-43-4 • 4294967295S) + S = CAS Reg. No. 66524-43-4
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 62.6 ± 2.2 | kcal/mol | N/A | Hunsicker, Jones, et al., 1995 | gas phase; Vertical Detachment Energy: 3.55 eV. An isomer exists with EA=2.26 eV; B |
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 7.77 ± 0.06 | kcal/mol | Eqk | Bechtold, 1965 | gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = 7.25 kcal/mol; ALS |
(CAS Reg. No. 12597-11-4 • 4294967295) + = CAS Reg. No. 12597-11-4
By formula: (CAS Reg. No. 12597-11-4 • 4294967295S) + S = CAS Reg. No. 12597-11-4
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 80.3 ± 1.8 | kcal/mol | N/A | Hunsicker, Jones, et al., 1995 | gas phase; Vertical Detachment Energy: 2.97±0.03 eV); B |
(CAS Reg. No. 37301-16-9 • 4294967295) + = CAS Reg. No. 37301-16-9
By formula: (CAS Reg. No. 37301-16-9 • 4294967295S) + S = CAS Reg. No. 37301-16-9
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 71.3 ± 1.5 | kcal/mol | N/A | Hunsicker, Jones, et al., 1995 | gas phase; Vertical Detachment Energy: 2.42±0.05 eV); B |
(CAS Reg. No. 184378-98-1 • 4294967295) + = CAS Reg. No. 184378-98-1
By formula: (CAS Reg. No. 184378-98-1 • 4294967295S) + S = CAS Reg. No. 184378-98-1
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 78.7 ± 1.9 | kcal/mol | N/A | Hunsicker, Jones, et al., 1995 | gas phase; Vertical Detachment Energy: 3.87 eV.; B |
By formula: (S2- • 4294967295S) + S = S2-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 92.7 ± 5.2 | kcal/mol | N/A | Moran and Ellison, 1988 | gas phase; B |
By formula: (S3- • 4294967295S) + S = S3-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 72.2 ± 5.3 | kcal/mol | N/A | Nimlos and Ellison, 1986 | gas phase; B |
By formula: (FS- • 4294967295S) + S = FS-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 56.4 ± 1.5 | kcal/mol | N/A | Polak, Gilles, et al., 1992 | gas 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
- Symbols used in this document:
S°gas,1 bar Entropy of gas at standard conditions (1 bar) S°liquid,1 bar Entropy of liquid at standard conditions (1 bar) S°solid,1 bar Entropy of solid at standard conditions (1 bar) ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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