Pentane, 1,1'-thiobis-
- Formula: C10H22S
- Molecular weight: 174.347
- IUPAC Standard InChIKey: JOZDADPMWLVEJK-UHFFFAOYSA-N
- CAS Registry Number: 872-10-6
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: Pentyl sulfide; Amyl sulfide; Di-n-pentyl sulfide; Diamyl sulfide; Dipentyl sulfide; 6-Thiaundecane; 1,1'-Thiobispentane; Dipentyl sulphide; n-Amyl sulfide; di-n-Amyl sulfide; Diamyl sulphide
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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.
Data compiled by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | -49.0 ± 0.6 | kcal/mol | Ccb | Mackle and Mayrick, 1962 |
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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°liquid | -63.7 ± 0.4 | kcal/mol | Ccb | Mackle and Mayrick, 1962 | |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°liquid | -1772.1 ± 0.4 | kcal/mol | Ccb | Mackle and Mayrick, 1962 | |
ΔcH°liquid | -1775.7 | kcal/mol | Ccb | Berthelot, 1901 |
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 as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
AC - William E. Acree, Jr., James S. Chickos
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔvapH° | 14.7 ± 0.5 | kcal/mol | V | Mackle and Mayrick, 1962 | ALS |
ΔvapH° | 14.8 | kcal/mol | N/A | Mackle and Mayrick, 1962 | DRB |
Reduced pressure boiling point
Tboil (K) | Pressure (atm) | Reference | Comment |
---|---|---|---|
359.2 | 0.005 | Weast and Grasselli, 1989 | BS |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
14.0 | 356. | A | Stephenson and Malanowski, 1987 | Based on data from 346. to 366. K.; AC |
13.7 | 358. | EB | Mackle and Mayrick, 1962, 2 | Based on data from 346. to 366. K.; AC |
Mass spectrum (electron ionization)
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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: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
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Additional Data
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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. |
---|---|
Origin | Japan AIST/NIMC Database- Spectrum MS-NW-4012 |
NIST MS number | 232413 |
Gas Chromatography
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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: NIST Mass Spectrometry Data Center, William E. Wallace, director
Kovats' RI, non-polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Packed | Apiezon M | 130. | 1276. | Garbuzov, Misharina, et al., 1985 | He or N2, Chromosorb W, AW-DMCS; Column length: 2.1 m |
Packed | SE-30 | 80. | 1266. | Zotov, Golovkin, et al., 1981 | N2, Chromaton N-AWHMDS; Column length: 1.8 m |
Packed | SE-30 | 190. | 1303. | Golovkin, Smol'chenko, et al., 1980 | N2, Chromaton N-AW-DMCS; Column length: 1. m |
Packed | Apiezon M | 130. | 1276. | Golovnya, Garbuzov, et al., 1976 | N2, Chromosorb W; Column length: 2.1 m |
Packed | Apiezon M | 130. | 1277. | Golovnya and Garbuzov, 1974 | N2, Chromosorb W; Column length: 2.1 m |
Packed | DC-200 | 120. | 1277. | Golovnya and Arsen'ev, 1970 | Column length: 1.5 m |
Packed | SE-30 | 130. | 1276. | Golovnya and Arsen'ev, 1970 | Column length: 1.5 m |
Kovats' RI, polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | PEG-20M | 93. | 1461.7 | Morishita, Murakita, et al., 1985 | Column length: 50. m; Column diameter: 0.25 mm |
Capillary | PEG-20M | 80. | 1456.3 | Morishita, Murakita, et al., 1982 | N2; Column length: 50. m; Column diameter: 0.25 mm |
Packed | Polyethylene Glycol | 130. | 1483. | Golovnya, Garbuzov, et al., 1976 | N2, Chromosorb W; Column length: 2.1 m |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Packed | SE-30 | 1268. | Zotov, Golovkin, et al., 1981 | N2, Chromaton N-AWHMDS, 3.9 K/min; Column length: 1.8 m; Tstart: 80. C; Tend: 250. C |
References
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Mackle and Mayrick, 1962
Mackle, H.; Mayrick, R.G.,
Studies in the thermochemistry of organic sulphides. Part 2. The gas-phase heats of formation of ten aliphatic sulphides,
Trans. Faraday Soc., 1962, 58, 230-237. [all data]
Berthelot, 1901
Berthelot, M.,
Chimie Organique. - Nouvelles recherches sur l'isomerie des ethers sulfocyaniques,
Compt. Rend., 1901, 132, 57-58. [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]
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]
Mackle and Mayrick, 1962, 2
Mackle, H.; Mayrick, R.G.,
Studies in the thermochemistry of organic sulphides. Part 2.?The gas-phase heats of formation of ten aliphatic sulphides,
Trans. Faraday Soc., 1962, 58, 230, https://doi.org/10.1039/tf9625800230
. [all data]
Garbuzov, Misharina, et al., 1985
Garbuzov, V.G.; Misharina, T.A.; Aerov, A.F.; Golovnya, R.V.,
Gas chromatographic retention indices for sulphur(II)-containing organic substances,
J. Anal. Chem. USSR (Engl. Transl.), 1985, 40, 4, 576-586. [all data]
Zotov, Golovkin, et al., 1981
Zotov, L.N.; Golovkin, G.V.; Golovnya, R.V.,
GC Behaviour of Symmetrical n-Dialkyl Sulphides under Isothermal and Temperature Programming Conditions,
J. Hi. Res. Chromatogr. Chromatogr. Comm., 1981, 4, 1, 6-10, https://doi.org/10.1002/jhrc.1240040103
. [all data]
Golovkin, Smol'chenko, et al., 1980
Golovkin, G.V.; Smol'chenko, A.I.; Zotov, L.N.; Sazonov, S.E.,
Systems of gas-chromatographic retention indices for identifying pesticides by means of selective detectors,
Zh. Anal. Khim., 1980, 35, 5, 651-655. [all data]
Golovnya, Garbuzov, et al., 1976
Golovnya, R.V.; Garbuzov, V.G.; Misharina, T.A.,
Gas chromatographic characteristics of sulfur compounds. 2. Normal sulfides,
Izv. Akad. Nauk Kaz. SSR Ser. Khim., 1976, 10, 2266-2270. [all data]
Golovnya and Garbuzov, 1974
Golovnya, R.V.; Garbuzov, V.G.,
Effect of heteroatom in aliphatic sulfur- and oxygen-containing compounds on the values of the retention indices in gas chromatography,
Izv. Akad. Nauk SSSR Ser. Khim., 1974, 7, 1519-1521. [all data]
Golovnya and Arsen'ev, 1970
Golovnya, R.V.; Arsen'ev, Y.N.,
Gas-chromatographic method for the analysis of n-mercaptans and symmetrical n-sulfides and n-disulfides,
Bull. Acad. Sci. USSR, Div. Chem. Sci. (Engl. Transl.), 1970, 6, 4, 1316-1318, https://doi.org/10.1007/BF00852683
. [all data]
Morishita, Murakita, et al., 1985
Morishita, F.; Murakita, H.; Kojima, T.,
Prediction of retention indices of thiols and sulfides under different conditions of capillary gas chromatography,
Bunseki Kagaku, 1985, 34, 12, 800-802, https://doi.org/10.2116/bunsekikagaku.34.12_800
. [all data]
Morishita, Murakita, et al., 1982
Morishita, F.; Murakita, H.; Takemura, Y.; Kojima, T.,
Prediction of molecular structures of thiols and sulphides by retention indices,
J. Chromatogr., 1982, 239, 483-492, https://doi.org/10.1016/S0021-9673(00)82005-1
. [all data]
Notes
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- Symbols used in this document:
Tboil Boiling point 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 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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