- InChI
- InChI=1S/C7H11NO2S/c1-4-10-6(9)7(2,3)8-5-11/h4H2,1-3H3
- InChI Key
- YMAIQXMMMHWWHA-UHFFFAOYSA-N
- Formula
- C7H11NO2S
- SMILES
- CCOC(=O)C(C)(C)N=C=S
- Molecular Weight1
- 173.23
- 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 | -157.29 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.48 | kJ/mol | Joback Calculated Property |
| log10WS | -1.66 | Crippen Calculated Property | |
| logPoct/wat | 1.431 | Crippen Calculated Property | |
| McVol | 134.660 | ml/mol | McGowan Calculated Property |
| Pc | 3076.16 | kPa | Joback Calculated Property |
| Inp | 1132.00 | NIST | |
| Tboil | 578.57 | K | Joback Calculated Property |
| Tc | 809.72 | K | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Isothiocyanato-2-methylpropionic acid ethyl ester.
Sources
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