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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Phase change data
Go To: Top, 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 | Crystal phase 2 phase; Uncertainty assigned by TRC = 0.04 K; TRC |
Ttriple | 169.850 | K | N/A | Messerly, Finke, et al., 1974 | 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)
View plot Requires a JavaScript / HTML 5 canvas capable browser.
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, 2 | 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, 2 | DH |
9.226 | 169.85 | crystaline, I | liquid | Messerly, Finke, et al., 1974, 2 | DH |
10.104 | 169.34 | crystaline, II | liquid | Messerly, Finke, et al., 1974, 2 | 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, 2 | DH |
54.32 | 169.85 | crystaline, I | liquid | Messerly, Finke, et al., 1974, 2 | DH |
59.67 | 169.34 | crystaline, II | liquid | Messerly, Finke, et al., 1974, 2 | DH |
Mass spectrum (electron ionization)
Go To: Top, 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, 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.
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
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]
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]
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, 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]
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, Phase change data, Mass spectrum (electron ionization), 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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