2-Butanethiol, 3-methyl-
- Formula: C5H12S
- Molecular weight: 104.214
- IUPAC Standard InChIKey: BFLXFRNPNMTTAA-UHFFFAOYSA-N
- CAS Registry Number: 2084-18-6
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: 3-Methyl-2-butanethiol; 3-Methyl-2-butylthiol; 3-Methylbutan-2-thiol; 3-methylbutane-2-thiol
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Phase change data
Go To: Top, 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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
AC - William E. Acree, Jr., James S. Chickos
CAL - James S. Chickos, William E. Acree, Jr., Joel F. Liebman, Students of Chem 202 (Introduction to the Literature of Chemistry), University of Missouri -- St. Louis
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 382.95 | K | N/A | Lanum and Morris, 1969 | Uncertainty assigned by TRC = 0.2 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 146.05 | K | N/A | Messerly, Finke, et al., 1974 | Crystal phase 1 phase; Uncertainty assigned by TRC = 0.06 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 37.5 ± 0.2 | kJ/mol | V | Good, 1972 | ALS |
ΔvapH° | 37.4 | kJ/mol | N/A | Good, 1972 | DRB |
ΔvapH° | 37.5 ± 0.1 | kJ/mol | N/A | Good, 1972 | See also Osborn and Douslin, 1966.; AC |
ΔvapH° | 37.7 | kJ/mol | N/A | Reid, 1972 | AC |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
37.7 | 300. | N/A | Dykyj, Svoboda, et al., 1999 | Based on data from 285. to 409. K.; AC |
36.2 | 330. | A,EB | Stephenson and Malanowski, 1987 | Based on data from 315. to 422. K. See also Osborn and Douslin, 1966.; 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 |
---|---|---|---|---|
316.12 to 422.0 | 4.00011 | 1307.162 | -55.662 | Osborn and Douslin, 1966 |
Enthalpy of fusion
ΔfusH (kJ/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
0.61 | 146.1 | Domalski and Hearing, 1996 | Based on data from 12. to 370. K. See also Messerly, Finke, et al., 1974, 2.; AC |
Entropy of fusion
ΔfusS (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
48.89 | 144.5 | Domalski and Hearing, 1996 | CAL |
4.16 | 146.1 |
Enthalpy of phase transition
ΔHtrs (kJ/mol) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
7.063 | 144.47 | crystaline, II | crystaline, I | Messerly, Finke, et al., 1974, 2 | DH |
0.6071 | 146.05 | crystaline, I | liquid | Messerly, Finke, et al., 1974, 2 | DH |
Entropy of phase transition
ΔStrs (J/mol*K) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
48.89 | 144.47 | crystaline, II | crystaline, I | Messerly, Finke, et al., 1974, 2 | DH |
4.16 | 146.05 | crystaline, I | liquid | Messerly, Finke, et al., 1974, 2 | DH |
References
Go To: Top, Phase change data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Lanum and Morris, 1969
Lanum, W.J.; Morris, J.C.,
Physical Properties of Some Sulfur and Nitrogen Compounds,
J. Chem. Eng. Data, 1969, 14, 93-8. [all data]
Messerly, Finke, et al., 1974
Messerly, J.F.; Finke, H.L.; Todd, S.S.,
Low-temperature thermal sudies on six organo-sulfur compounds,
J. Chem. Thermodyn., 1974, 6, 635-57. [all data]
Good, 1972
Good, W.D.,
Enthalpies of combustion of 18 organic sulfur compounds related to petroleum,
J. Chem. Eng. Data, 1972, 17, 158-162. [all data]
Osborn and Douslin, 1966
Osborn, A.G.; Douslin, D.R.,
Vapor Pressure Relations of 36 Sulfur Compounds Present in Petroleum.,
J. Chem. Eng. Data, 1966, 11, 4, 502-509, https://doi.org/10.1021/je60031a014
. [all data]
Reid, 1972
Reid, Robert C.,
Handbook on vapor pressure and heats of vaporization of hydrocarbons and related compounds, R. C. Wilhort and B. J. Zwolinski, Texas A Research Foundation. College Station, Texas(1971). 329 pages.$10.00,
AIChE J., 1972, 18, 6, 1278-1278, https://doi.org/10.1002/aic.690180637
. [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]
Domalski and Hearing, 1996
Domalski, Eugene S.; Hearing, Elizabeth D.,
Heat Capacities and Entropies of Organic Compounds in the Condensed Phase. Volume III,
J. Phys. Chem. Ref. Data, 1996, 25, 1, 1, https://doi.org/10.1063/1.555985
. [all data]
Messerly, Finke, et al., 1974, 2
Messerly, J.F.; Finke, H.L.; Todd, S.S.,
Low-temperature thermal studies on six organo-sulfur compounds,
J. Chem. Thermodynam., 1974, 6, 635-657. [all data]
Notes
Go To: Top, Phase change data, References
- Symbols used in this document:
Tboil Boiling point Ttriple Triple point temperature ΔHtrs Enthalpy of phase transition ΔStrs Entropy of phase transition ΔfusH Enthalpy of fusion ΔfusS Entropy of fusion ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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