Isothiocyanic acid
- Formula: CHNS
- Molecular weight: 59.090
- IUPAC Standard InChI: InChI=1S/CNS/c2-1-3/q-1
- IUPAC Standard InChIKey: ZBKFYXZXZJPWNQ-UHFFFAOYSA-N
- CAS Registry Number: 3129-90-6
- Chemical structure:
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Reaction thermochemistry data
Go To: Top, 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
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Individual Reactions
CNS- + =
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | <1361. ± 4.6 | kJ/mol | D-EA | Bradforth, Kim, et al., 1993 | gas phase; Acid HNCS. HSCN up by ca. 8 kcal/mol |
| ΔrH° | 1375. ± 21. | kJ/mol | G+TS | Bierbaum, Grabowski, et al., 1984 | gas phase; Acid: HNCS |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | <1329. ± 5.9 | kJ/mol | H-TS | Bradforth, Kim, et al., 1993 | gas phase; Acid HNCS. HSCN up by ca. 8 kcal/mol |
| ΔrG° | 1343. ± 21. | kJ/mol | IMRB | Bierbaum, Grabowski, et al., 1984 | gas phase; Acid: HNCS |
References
Go To: Top, Reaction thermochemistry data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Bradforth, Kim, et al., 1993
Bradforth, S.E.; Kim, E.H.; Arnold, D.W.; Neumark, D.M.,
Photoelectron Spectroscopy of CN-, NCO-, and NCS-,
J. Chem. Phys., 1993, 98, 2, 800, https://doi.org/10.1063/1.464244
. [all data]
Bierbaum, Grabowski, et al., 1984
Bierbaum, V.M.; Grabowski, J.J.; DePuy, C.H.,
Gas-phase synthesis and reactions of nitrogen- and sulfur-containing anions,
J. Phys. Chem., 1984, 88, 1389. [all data]
Notes
Go To: Top, Reaction thermochemistry 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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