Propane, 2-(methylthio)-
- Formula: C4H10S
- Molecular weight: 90.187
- IUPAC Standard InChIKey: ROSSIHMZZJOVOU-UHFFFAOYSA-N
- CAS Registry Number: 1551-21-9
- 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, isopropyl methyl; Isopropyl methyl sulfide; Methyl isopropyl sulfide; 3-Methyl-2-thiabutane; 2-(Methylthio)propane; Isopropyl methyl sulphide
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Gas phase ion energetics data
Go To: Top, Gas Chromatography, 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: Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
Ionization energy determinations
IE (eV) | Method | Reference |
---|---|---|
8.7 ± 0.2 | EI | Hobrock and Kiser, 1963 |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
CHS+ | 16.4 ± 0.4 | ? | EI | Hobrock and Kiser, 1963 | |
CH2S+ | 15.5 ± 0.4 | ? | EI | Hobrock and Kiser, 1963 | |
CH3+ | 19.4 ± 0.5 | ? | EI | Hobrock and Kiser, 1963 | |
CH3S+ | 15.3 ± 0.2 | ? | EI | Hobrock and Kiser, 1963 | |
CH4S+ | 12.0 ± 0.2 | ? | EI | Hobrock and Kiser, 1963 | |
CH5S+ | 12.1 ± 0.2 | ? | EI | Hobrock and Kiser, 1963 | |
C2H3+ | 16.5 ± 0.5 | ? | EI | Hobrock and Kiser, 1963 | |
C2H3S+ | 16.1 ± 0.3 | ? | EI | Hobrock and Kiser, 1963 | |
C2H5S+ | 13.5 ± 0.3 | ? | EI | Hobrock and Kiser, 1963 | |
C3H3+ | 21.0 ± 0.5 | ? | EI | Hobrock and Kiser, 1963 | |
C3H5+ | 15.2 ± 0.2 | ? | EI | Hobrock and Kiser, 1963 | |
C3H6+ | 13.5 | ? | EI | Hobrock and Kiser, 1963 | |
C3H7+ | 12.7 ± 0.2 | ? | EI | Hobrock and Kiser, 1963 | |
C3H7S+ | 11.7 ± 0.2 | CH3 | EI | Hobrock and Kiser, 1963 |
Gas Chromatography
Go To: Top, Gas phase ion energetics 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
Kovats' RI, non-polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Packed | Apiezon M | 130. | 675. | Garbuzov, Misharina, et al., 1985 | He or N2, Chromosorb W, AW-DMCS; Column length: 2.1 m |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Apiezon M | 675. | N/A | Program: not specified |
Capillary | Apiezon M | 675. | Liu, Cao, et al., 2005 | Program: not specified |
Capillary | Polydimethyl siloxanes | 665. | Zenkevich, 1998 | Program: not specified |
Capillary | SE-52 | 676. | van Langenhove and Schamp, 1986 | Column length: 100. m; Column diameter: 0.50 mm; Program: not specified |
Capillary | OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc. | 650. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
References
Go To: Top, Gas phase ion energetics data, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Hobrock and Kiser, 1963
Hobrock, B.G.; Kiser, R.W.,
Electron impact investigations of sulfur compounds. II. 3-Methyl-2-thiabutane, 4-thia-1-pentene, and 3,4-dithiahexane,
J. Phys. Chem., 1963, 67, 648. [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]
Liu, Cao, et al., 2005
Liu, L.; Cao, C.-Z.; Xie, B.; Zou, L.-K.,
Research of QSSR on chromatography retention index of sulfides and mercaptans,
Journal of Hunan University of Science and Technology, 2005, 20, 4, 74-80. [all data]
Zenkevich, 1998
Zenkevich, I.G.,
The Principle of Structural Analogy in the Calculation of Gas Chromatographic Retention Indices using Physico-Chemical Constants of Organic Compounds,
Zh. Anal. Khim. (Rus.), 1998, 53, 1, 43-49. [all data]
van Langenhove and Schamp, 1986
van Langenhove, H.; Schamp, N.,
Identification of Volatiles in the Head Space of Acid-Treated Phosphate Rock by Gas Chromatography-Mass Spectromety,
J. Chromatogr., 1986, 351, 65-75, https://doi.org/10.1016/S0021-9673(01)83473-7
. [all data]
Waggott and Davies, 1984
Waggott, A.; Davies, I.W.,
Identification of organic pollutants using linear temperature programmed retention indices (LTPRIs) - Part II, 1984, retrieved from http://dwi.defra.gov.uk/research/completed-research/reports/dwi0383.pdf. [all data]
Notes
Go To: Top, Gas phase ion energetics data, Gas Chromatography, References
- Symbols used in this document:
AE Appearance energy - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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