- InChI
- InChI=1S/C5H5NO2S/c7-5-4(6-3-9)1-2-8-5/h4H,1-2H2
- InChI Key
- MSBPBCHCQJBHNC-UHFFFAOYSA-N
- Formula
- C5H5NO2S
- SMILES
- O=C1OCCC1N=C=S
- Molecular Weight1
- 143.16
- CAS
- 61315-63-7
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -71.68 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.18 | kJ/mol | Joback Calculated Property |
| log10WS | -0.72 | Crippen Calculated Property | |
| logPoct/wat | 0.405 | Crippen Calculated Property | |
| McVol | 95.620 | ml/mol | McGowan Calculated Property |
| Pc | 4627.70 | kPa | Joback Calculated Property |
| Tboil | 569.80 | K | Joback Calculated Property |
| Tc | 839.98 | K | Joback Calculated Property |
Similar Compounds
Find more compounds similar to «alpha»-Isothiocyanato-«gamma»-butyrolactone.
Sources
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