- InChI
- InChI=1S/C9H7NO2S/c1-12-9(11)7-3-2-4-8(5-7)10-6-13/h2-5H,1H3
- InChI Key
- NQXFZEJJHPUMMF-UHFFFAOYSA-N
- Formula
- C9H7NO2S
- SMILES
- COC(=O)c1cccc(N=C=S)c1
- Molecular Weight1
- 193.22
- CAS
- 3125-66-4
- 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 | 35.24 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.16 | kJ/mol | Joback Calculated Property |
| log10WS | -2.63 | Crippen Calculated Property | |
| logPoct/wat | 2.208 | Crippen Calculated Property | |
| McVol | 139.080 | ml/mol | McGowan Calculated Property |
| Pc | 3468.36 | kPa | Joback Calculated Property |
| Tboil | 659.22 | K | Joback Calculated Property |
| Tc | 916.43 | K | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Methoxycarbonylphenyl isothiocyanate.
Sources
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