- InChI
- InChI=1S/C5H9NO2S/c1-7-5(8-2)3-6-4-9/h5H,3H2,1-2H3
- InChI Key
- LMLTWPRCKDMKLQ-UHFFFAOYSA-N
- Formula
- C5H9NO2S
- SMILES
- COC(CN=C=S)OC
- Molecular Weight1
- 147.19
- CAS
- 75052-04-9
- 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 | -132.18 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 41.60 | kJ/mol | Joback Calculated Property |
| log10WS | -0.63 | Crippen Calculated Property | |
| logPoct/wat | 0.708 | Crippen Calculated Property | |
| McVol | 110.780 | ml/mol | McGowan Calculated Property |
| Pc | 3452.08 | kPa | Joback Calculated Property |
| Tboil | 504.15 | K | Joback Calculated Property |
| Tc | 722.79 | K | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isothiocyanatoacetaldehyde dimethyl acetal.
Sources
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