Pentane, 1,1'-thiobis-
- Formula: C10H22S
- Molecular weight: 174.347
- IUPAC Standard InChI: InChI=1S/C10H22S/c1-3-5-7-9-11-10-8-6-4-2/h3-10H2,1-2H3
- 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 | -205. ± 3. | kJ/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 | -267. ± 2. | kJ/mol | Ccb | Mackle and Mayrick, 1962 | |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°liquid | -7415. ± 2. | kJ/mol | Ccb | Mackle and Mayrick, 1962 | |
| ΔcH°liquid | -7429.5 | kJ/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° | 62. ± 2. | kJ/mol | V | Mackle and Mayrick, 1962 | ALS |
| ΔvapH° | 62.0 | kJ/mol | N/A | Mackle and Mayrick, 1962 | DRB |
Reduced pressure boiling point
| Tboil (K) | Pressure (bar) | Reference | Comment |
|---|---|---|---|
| 359.2 | 0.005 | Weast and Grasselli, 1989 | BS |
Enthalpy of vaporization
| ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 58.7 | 356. | A | Stephenson and Malanowski, 1987 | Based on data from 346. to 366. K.; AC |
| 57.5 | 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
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), Gas Chromatography, Notes
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
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), Gas Chromatography, References
- 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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