1,3-Dithiolane
- Formula: C3H6S2
- Molecular weight: 106.210
- IUPAC Standard InChIKey: IMLSAISZLJGWPP-UHFFFAOYSA-N
- CAS Registry Number: 4829-04-3
- 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: 1,3-Dithiacyclopentane
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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 by: Robert L. Brown and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 448.2 | K | N/A | Weast and Grasselli, 1989 |
Gas phase ion energetics 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:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
9.0 ± 0.05 | EI | Conde-Caprace and Collin, 1972 | LLK |
8.77 | PE | Kobayashi, Gleiter, et al., 1977 | Vertical value; LLK |
8.75 | PE | Baker, Brisk, et al., 1976 | Vertical value; LLK |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
CHS+ | 13. ± 0.4 | CHS+CH4? | EI | Conde-Caprace and Collin, 1972 | LLK |
CH2S+ | 11. ± 0.4 | ? | EI | Conde-Caprace and Collin, 1972 | LLK |
CH2S2+ | 10.8 ± 0.2 | C2H4 | EI | Conde-Caprace and Collin, 1972 | LLK |
CH3S+ | 11.4 ± 0.4 | ? | EI | Conde-Caprace and Collin, 1972 | LLK |
C2H3S+ | 10.8 ± 0.4 | CH3S | EI | Conde-Caprace and Collin, 1972 | LLK |
C2H4S+ | 11.2 ± 0.3 | CH2S | EI | Conde-Caprace and Collin, 1972 | LLK |
C2H5S+ | 11.4 ± 0.3 | CHS | EI | Conde-Caprace and Collin, 1972 | LLK |
C3H5+ | 10.8 ± 0.2 | S2H | EI | Conde-Caprace and Collin, 1972 | LLK |
C3H5S+ | 10.5 ± 0.1 | SH | EI | Conde-Caprace and Collin, 1972 | LLK |
C3H5S2+ | 11.2 ± 0.2 | H | EI | Conde-Caprace and Collin, 1972 | LLK |
S2+ | 10.7 ± 0.1 | CH2=CHCH3 | EI | Conde-Caprace and Collin, 1972 | LLK |
UV/Visible spectrum
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Spectrum
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Additional Data
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Source | Bergson and Schotte, 1962 |
---|---|
Owner | INEP CP RAS, NIST OSRD Collection (C) 2007 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
Origin | INSTITUTE OF ENERGY PROBLEMS OF CHEMICAL PHYSICS, RAS |
Source reference | RAS UV No. 13184 |
Instrument | n.i.g. |
Melting point | -50 |
Boiling point | 175 |
References
Go To: Top, Phase change data, Gas phase ion energetics data, UV/Visible spectrum, 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]
Conde-Caprace and Collin, 1972
Conde-Caprace, G.; Collin, J.E.,
Ionization and dissociation of cyclic ethers thioethers by electron-impact. A comparison between 1,3-dioxolane, 1,3-dithiolane and 1,3-oxathiolane,
Org. Mass Spectrom., 1972, 6, 415. [all data]
Kobayashi, Gleiter, et al., 1977
Kobayashi, M.; Gleiter, R.; Coffen, D.L.; Bock, H.; Schulz, W.; Stein, U.,
Spiroconjugation in orthothiocarbonates,
Tetrahedron, 1977, 33, 433. [all data]
Baker, Brisk, et al., 1976
Baker, A.D.; Brisk, M.A.; Venanzi, T.J.; Kwon, Y.S.; Sadka, S.,
Spiroconjugation involving sulfur 3p atomic orbitals,
Tetrahedron Lett., 1976, 38, 3415. [all data]
Bergson and Schotte, 1962
Bergson, G.; Schotte, L.,
Acta Chem. Scand., 1962, 16, 1159. [all data]
Notes
Go To: Top, Phase change data, Gas phase ion energetics data, UV/Visible spectrum, References
- Symbols used in this document:
AE Appearance energy Tboil Boiling point - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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