- InChI
- InChI=1S/C11H14N2S/c1-3-13(4-2)11-7-5-10(6-8-11)12-9-14/h5-8H,3-4H2,1-2H3
- InChI Key
- PGWXUTHWTCRUAM-UHFFFAOYSA-N
- Formula
- C11H14N2S
- SMILES
- CCN(CC)c1ccc(N=C=S)cc1
- Molecular Weight1
- 206.31
- CAS
- 84381-54-4
- 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 | 306.29 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.50 | kJ/mol | Joback Calculated Property |
| log10WS | -3.13 | Crippen Calculated Property | |
| logPoct/wat | 3.267 | Crippen Calculated Property | |
| McVol | 169.800 | ml/mol | McGowan Calculated Property |
| Pc | 2662.52 | kPa | Joback Calculated Property |
| Tboil | 641.13 | K | Joback Calculated Property |
| Tc | 880.81 | K | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Diethylaminophenyl isothiocyanate.
Sources
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