- InChI
- InChI=1S/C7H9NO4S/c1-11-6(9)3-5(8-4-13)7(10)12-2/h5H,3H2,1-2H3
- InChI Key
- NWHDEBYHAZNXDQ-UHFFFAOYSA-N
- Formula
- C7H9NO4S
- SMILES
- COC(=O)CC(N=C=S)C(=O)OC
- Molecular Weight1
- 203.22
- CAS
- 121928-38-9
- 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 | -398.62 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.54 | kJ/mol | Joback Calculated Property |
| log10WS | -0.52 | Crippen Calculated Property | |
| logPoct/wat | 0.194 | Crippen Calculated Property | |
| McVol | 142.100 | ml/mol | McGowan Calculated Property |
| Pc | 3199.16 | kPa | Joback Calculated Property |
| Tboil | 657.65 | K | Joback Calculated Property |
| Tc | 883.67 | K | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dimethyl isothiocyanatosuccinate.
Sources
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