- InChI
- InChI=1S/C13H9N3S/c17-10-14-11-6-8-13(9-7-11)16-15-12-4-2-1-3-5-12/h1-9H
- InChI Key
- ZTXNMMXJFVCQPD-UHFFFAOYSA-N
- Formula
- C13H9N3S
- SMILES
- S=C=Nc1ccc(N=Nc2ccccc2)cc1
- Molecular Weight1
- 239.30
- CAS
- 7612-96-6
- Other Names
-
- p-Phenylazophenyl isothiocyanate
- Diazene, (4-isothiocyanatophenyl)phenyl-
- 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 | 481.23 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.86 | kJ/mol | Joback Calculated Property |
| log10WS | -4.43 | Crippen Calculated Property | |
| logPoct/wat | 4.836 | Crippen Calculated Property | |
| McVol | 179.900 | ml/mol | McGowan Calculated Property |
| Pc | 2358.78 | kPa | Joback Calculated Property |
| Tboil | 850.33 | K | Joback Calculated Property |
| Tc | 1147.09 | K | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isothiocyanic acid, (p-phenylazo)phenyl ester.
Sources
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