- InChI
- InChI=1S/C12H15NS/c1-4-10-6-5-7-11(9(2)3)12(10)13-8-14/h5-7,9H,4H2,1-3H3
- InChI Key
- HCOAPUYALIBFCM-UHFFFAOYSA-N
- Formula
- C12H15NS
- SMILES
- CCc1cccc(C(C)C)c1N=C=S
- Molecular Weight1
- 205.32
- CAS
- 67330-54-5
- 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 | 201.37 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.96 | kJ/mol | Joback Calculated Property |
| log10WS | -4.38 | Crippen Calculated Property | |
| logPoct/wat | 4.107 | Crippen Calculated Property | |
| McVol | 173.910 | ml/mol | McGowan Calculated Property |
| Pc | 2405.28 | kPa | Joback Calculated Property |
| Tboil | 656.11 | K | Joback Calculated Property |
| Tc | 900.81 | K | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Ethyl-6-isopropylphenyl isothiocyanate.
Sources
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