- InChI
- InChI=1S/C9H13NO4S/c1-3-13-8(11)5-7(10-6-15)9(12)14-4-2/h7H,3-5H2,1-2H3
- InChI Key
- QXDWIJBRASJSJQ-UHFFFAOYSA-N
- Formula
- C9H13NO4S
- SMILES
- CCOC(=O)CC(N=C=S)C(=O)OCC
- Molecular Weight1
- 231.27
- 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).
- Inp : Non-polar retention indices.
- 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 | -439.90 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.99 | kJ/mol | Joback Calculated Property |
| log10WS | -1.36 | Crippen Calculated Property | |
| logPoct/wat | 0.974 | Crippen Calculated Property | |
| McVol | 170.280 | ml/mol | McGowan Calculated Property |
| Pc | 2603.08 | kPa | Joback Calculated Property |
| Inp | 1527.60 | NIST | |
| Tboil | 703.41 | K | Joback Calculated Property |
| Tc | 921.70 | K | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Isothiocyanato-succinic acid diethyl ester.
Sources
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