Cyclopentane, (methylthio)-
- Formula: C6H12S
- Molecular weight: 116.224
- IUPAC Standard InChIKey: OTQVGYMGQKHLMY-UHFFFAOYSA-N
- CAS Registry Number: 7133-36-0
- 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: Sulfide, cyclopentyl methyl; Cyclopentyl methyl sulfide; Methyl cyclopentyl sulfide; Methylthiocyclopentane; Cyclopentyl methyl sulphide; (Methylsulfanyl)cyclopentane; Cyclopentyl-1-thiaethane
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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | -64.35 ± 0.96 | kJ/mol | Ccr | Good, 1972 |
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 as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°liquid | -109.5 ± 0.92 | kJ/mol | Ccr | Good, 1972 | ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°liquid | -4568.26 ± 0.84 | kJ/mol | Ccr | Good, 1972 | ALS |
Quantity | Value | Units | Method | Reference | Comment |
S°liquid | 285.47 | J/mol*K | N/A | Messerly, Finke, et al., 1974 | DH |
Constant pressure heat capacity of liquid
Cp,liquid (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
192.92 | 298.15 | Messerly, Finke, et al., 1974 | T = 10 to 370 K.; DH |
Phase change data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Mass spectrum (electron ionization), 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:
BS - Robert L. Brown and Stephen E. Stein
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 | 431.7 | K | N/A | Weast and Grasselli, 1989 | BS |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 169.340 | K | N/A | Messerly, Finke, et al., 1974, 2 | Crystal phase 2 phase; Uncertainty assigned by TRC = 0.04 K; TRC |
Ttriple | 169.850 | K | N/A | Messerly, Finke, et al., 1974, 2 | Crystal phase 1 phase; Uncertainty assigned by TRC = 0.04 K; TRC |
Ttriple | 169.86 | K | N/A | McCullough and Waddington, 1957 | Uncertainty assigned by TRC = 0.06 K; IPTS-48, from fast crystallization; TRC |
Ttriple | 169.86 | K | N/A | McCullough and Waddington, 1957 | Uncertainty assigned by TRC = 0.06 K; IPTS-48, from slow crystalization; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 45.1 ± 0.2 | kJ/mol | V | Good, 1972 | ALS |
ΔvapH° | 45.2 | kJ/mol | N/A | Good, 1972 | DRB |
ΔvapH° | 45.1 ± 0.1 | kJ/mol | N/A | Good, 1972 | See also Osborn and Douslin, 1966.; AC |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
41.7 | 369. | A,EB | Stephenson and Malanowski, 1987 | Based on data from 354. to 473. 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 |
---|---|---|---|---|
355.89 to 472.12 | 4.06952 | 1483.379 | -64.366 | Osborn and Douslin, 1966 |
Enthalpy of fusion
ΔfusH (kJ/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
9.2 | 169.9 | Messerly, Finke, et al., 1974 | AC |
Entropy of fusion
ΔfusS (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
5.44 | 165. | Messerly, Finke, et al., 1974, 3 | CAL |
54.31 | 169.9 |
Enthalpy of phase transition
ΔHtrs (kJ/mol) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
0.895 | 165.0 | crystaline, II | crystaline, I | Messerly, Finke, et al., 1974 | DH |
9.226 | 169.85 | crystaline, I | liquid | Messerly, Finke, et al., 1974 | DH |
10.104 | 169.34 | crystaline, II | liquid | Messerly, Finke, et al., 1974 | DH |
Entropy of phase transition
ΔStrs (J/mol*K) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
5.42 | 165.0 | crystaline, II | crystaline, I | Messerly, Finke, et al., 1974 | DH |
54.32 | 169.85 | crystaline, I | liquid | Messerly, Finke, et al., 1974 | DH |
59.67 | 169.34 | crystaline, II | liquid | Messerly, Finke, et al., 1974 | DH |
Mass spectrum (electron ionization)
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change 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 by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
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Additional Data
View image of digitized spectrum (can be printed in landscape orientation).
Due to licensing restrictions, this spectrum cannot be downloaded.
Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
NIST MS number | 1965 |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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]
Messerly, Finke, et al., 1974
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]
Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]
Messerly, Finke, et al., 1974, 2
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]
McCullough and Waddington, 1957
McCullough, J.P.; Waddington, G.,
Melting-point purity determinations: limitations as evidenced by calorimetric studies in the melting region,
Anal. Chim. Acta, 1957, 17, 80. [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]
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]
Messerly, Finke, et al., 1974, 3
Messerly, J.F.; Finke, H.L.; Todd, S.S.,
Low-temperature thermal studies on six organo-sulfur compounds,
J. Chem. Thermodyn., 1974, 6, 7, 635, https://doi.org/10.1016/0021-9614(74)90115-3
. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), References
- Symbols used in this document:
Cp,liquid Constant pressure heat capacity of liquid S°liquid Entropy of liquid at standard conditions Tboil Boiling point Ttriple Triple point temperature ΔHtrs Enthalpy of phase transition ΔStrs Entropy of phase transition ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions 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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