Thioacetone
- Formula: C3H6S
- Molecular weight: 74.145
- IUPAC Standard InChIKey: JTNXQVCPQMQLHK-UHFFFAOYSA-N
- CAS Registry Number: 4756-05-2
- Chemical structure:
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Reaction thermochemistry data
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: John E. Bartmess
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.
Individual Reactions
C3H5S- + =
By formula: C3H5S- + H+ = C3H6S
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1469. ± 14. | kJ/mol | G+TS | Zhang and Grabowski, 1989 | gas phase; Between H2S, PhOH (Acid = Me2C=S) |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1439. ± 13. | kJ/mol | IMRB | Zhang and Grabowski, 1989 | gas phase; Between H2S, PhOH (Acid = Me2C=S) |
Gas phase ion energetics data
Go To: Top, Reaction thermochemistry 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 as indicated in comments:
B - John E. Bartmess
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
View reactions leading to C3H6S+ (ion structure unspecified)
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
8.6 | PE | Rao, 1975 | Vertical value; LLK |
8.60 ± 0.05 | PE | Kroto, Landsberg, et al., 1974 | Vertical value; LLK |
De-protonation reactions
C3H5S- + =
By formula: C3H5S- + H+ = C3H6S
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1469. ± 14. | kJ/mol | G+TS | Zhang and Grabowski, 1989 | gas phase; Between H2S, PhOH (Acid = Me2C=S); B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1439. ± 13. | kJ/mol | IMRB | Zhang and Grabowski, 1989 | gas phase; Between H2S, PhOH (Acid = Me2C=S); B |
References
Go To: Top, Reaction thermochemistry 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.
Zhang and Grabowski, 1989
Zhang, L.; Grabowski, J.J.,
The Gas-Phase Basicity and H/D Exchange Characteristics of the Parent Thiocarbonyl Enolate Anions, J. Chem. Soc. Chem. Comm. 1819, 1989. [all data]
Rao, 1975
Rao, C.N.R.,
Lone-pair ionization bands of chromophores in the photoelectron spectra of organic molecules,
Indian J. Chem., 1975, 13, 950. [all data]
Kroto, Landsberg, et al., 1974
Kroto, H.W.; Landsberg, B.M.; Suffolk, R.J.; Vodden, A.,
The photoelectron and microwave spectra of the unstable species thioacetaldehyde, CH3CHS, and thioacetone, (CH3)2CS,
Chem. Phys. Lett., 1974, 29, 265. [all data]
Notes
Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, References
- Symbols used in this document:
ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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