- InChI
- InChI=1S/C4H5NO2S/c1-7-4(6)2-5-3-8/h2H2,1H3
- InChI Key
- GOWGDPFDGIPFIK-UHFFFAOYSA-N
- Formula
- C4H5NO2S
- SMILES
- COC(=O)CN=C=S
- Molecular Weight1
- 131.15
- CAS
- 21055-37-8
- 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 | -86.62 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 44.09 | kJ/mol | Joback Calculated Property |
| log10WS | -0.29 | Crippen Calculated Property | |
| logPoct/wat | 0.262 | Crippen Calculated Property | |
| McVol | 92.390 | ml/mol | McGowan Calculated Property |
| Pc | 4249.61 | kPa | Joback Calculated Property |
| Tboil | 513.16 | K | Joback Calculated Property |
| Tc | 742.64 | K | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Methyl 2-isothiocyanatoacetate.
Sources
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