- InChI
- InChI=1S/C13H17NS/c1-4-10(3)12-8-6-7-11(5-2)13(12)14-9-15/h6-8,10H,4-5H2,1-3H3
- InChI Key
- VXVNYWWOXYECKU-UHFFFAOYSA-N
- Formula
- C13H17NS
- SMILES
- CCc1cccc(C(C)CC)c1N=C=S
- Molecular Weight1
- 219.35
- CAS
- 66609-02-7
- 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 | 180.73 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.18 | kJ/mol | Joback Calculated Property |
| log10WS | -4.80 | Crippen Calculated Property | |
| logPoct/wat | 4.497 | Crippen Calculated Property | |
| McVol | 188.000 | ml/mol | McGowan Calculated Property |
| Pc | 2193.84 | kPa | Joback Calculated Property |
| Tboil | 678.99 | K | Joback Calculated Property |
| Tc | 918.49 | K | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Ethyl-6-(1-methylpropyl)phenyl isothiocyanate.
Sources
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