Thiophene, 2,5-dihydro-
- Formula: C4H6S
- Molecular weight: 86.155
- IUPAC Standard InChIKey: WURYWHAKEJHAOV-UHFFFAOYSA-N
- CAS Registry Number: 1708-32-3
- 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: 2,5-Dihydrothiophene
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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 | 20.86 ± 0.28 | kcal/mol | Ccr | Davies and Sunner, 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 | 11.31 ± 0.28 | kcal/mol | Ccr | Davies and Sunner, 1962 | |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°liquid | -736.40 ± 0.25 | kcal/mol | Ccr | Davies and Sunner, 1962 |
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:
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.
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 395.5 | K | N/A | Majer and Svoboda, 1985 | |
Tboil | 395.45 | K | N/A | Davies and Sunner, 1962, 2 | Uncertainty assigned by TRC = 0.5 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 223.85 | K | N/A | Davies and Sunner, 1962, 2 | Uncertainty assigned by TRC = 1.5 K; TRC |
Tfus | 223.05 | K | N/A | Davies and Sunner, 1962, 2 | Uncertainty assigned by TRC = 1. K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 9.553 | kcal/mol | N/A | Majer and Svoboda, 1985 | |
ΔvapH° | 9.55 ± 0.06 | kcal/mol | C | Davies and Sunner, 1962 | ALS |
ΔvapH° | 9.56 | kcal/mol | N/A | Davies and Sunner, 1962 | DRB |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Reference |
---|---|---|
8.325 | 395.5 | Majer and Svoboda, 1985 |
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 by: Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
View reactions leading to C4H6S+ (ion structure unspecified)
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
8.4 | PE | Schmidt and Schweig, 1973 | |
8.54 | PE | Schmidt and Schweig, 1973 | Vertical value |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Davies and Sunner, 1962
Davies, J.V.; Sunner, S.,
Heats of combustion and formation of thiolane and of the thiolenes,
Acta Chem. Scand., 1962, 16, 1870-1876. [all data]
Majer and Svoboda, 1985
Majer, V.; Svoboda, V.,
Enthalpies of Vaporization of Organic Compounds: A Critical Review and Data Compilation, Blackwell Scientific Publications, Oxford, 1985, 300. [all data]
Davies and Sunner, 1962, 2
Davies, J.V.; Sunner, S.,
Heats of Combustion and Formation of Thiolane and the Thiolenes,
Acta Chem. Scand., 1962, 16, 1870. [all data]
Schmidt and Schweig, 1973
Schmidt, H.; Schweig, A.,
Ausschluss transanularer Wechselwirkung in 2.5-Dihydrothiophen,
Tetrahedron Lett., 1973, 1437. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, References
- Symbols used in this document:
Tboil Boiling point Tfus Fusion (melting) 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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