- Formula: C3H6S
- Molecular weight: 74.145
- IUPAC Standard InChI:
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- IUPAC Standard InChIKey: XSROQCDVUIHRSI-UHFFFAOYSA-N
- CAS Registry Number: 287-27-4
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
- Other names: Trimethylene sulfide; Propane, 1,3-epithio-; Thiacyclobutane
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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 as indicated in comments:
DRB - Donald R. Burgess, Jr.
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
|fH°gas||59.9||kJ/mol||N/A||Sunner, 1963||Value computed using «DELTA»fHliquid° value of 24.0±2.0 kj/mol from Sunner, 1963 and «DELTA»vapH° value of 35.9 kj/mol from Hubbard, Katz, et al., 1954.; DRB|
|fH°gas||61.1 ± 1.3||kJ/mol||Ccr||Hubbard, Katz, et al., 1954||Heat of combustion calculated author's U=-635.23; ALS|
Go To: Top, Gas phase thermochemistry data, Notes
Stewart, J.J.P., Comparison of the accuracy of semiempirical and some DFT methods for predicting heats of formation, J. Mol. Model, 2004, 10, 1, 6-10, https://doi.org/10.1007/s00894-003-0157-6 . [all data]
Sunner, S., Corrected heat of combustion and formation values for a number of organic sulphur compounds, Acta Chem. Scand., 1963, 17, 728-730. [all data]
Hubbard, Katz, et al., 1954
Hubbard, W.N.; Katz, C.; Waddington, G., A rotating combustion bomb for precision calorimetry. Heats of combustion of some sulfur-containing compounds, J. Phys. Chem., 1954, 58, 142. [all data]
Go To: Top, Gas phase thermochemistry data, References
- Symbols used in this document:
fH°gas Enthalpy of formation of gas at standard conditions
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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