- InChI
- InChI=1S/C9H7NS/c1-2-8-3-5-9(6-4-8)10-7-11/h2-6H,1H2
- InChI Key
- VLYLPZIBVLBOLH-UHFFFAOYSA-N
- Formula
- C9H7NS
- SMILES
- C=Cc1ccc(N=C=S)cc1
- Molecular Weight1
- 161.22
- CAS
- 1520-20-3
- 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 | 405.47 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.34 | kJ/mol | Joback Calculated Property |
| log10WS | -3.21 | Crippen Calculated Property | |
| logPoct/wat | 3.064 | Crippen Calculated Property | |
| McVol | 127.340 | ml/mol | McGowan Calculated Property |
| Pc | 3452.08 | kPa | Joback Calculated Property |
| Tboil | 579.61 | K | Joback Calculated Property |
| Tc | 840.71 | K | Joback Calculated Property |
Similar Compounds
Find more compounds similar to p-Vinylphenyl isothiocyanate.
Sources
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