- InChI
- InChI=1S/C8H15NS/c1-3-4-8(2)5-6-9-7-10/h8H,3-6H2,1-2H3
- InChI Key
- TXKNVIMTEJTWJQ-UHFFFAOYSA-N
- Formula
- C8H15NS
- SMILES
- CCCC(C)CCN=C=S
- Molecular Weight1
- 157.28
- CAS
- 206761-72-0
- 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 | 70.34 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 43.45 | kJ/mol | Joback Calculated Property |
| log10WS | -2.86 | Crippen Calculated Property | |
| logPoct/wat | 2.916 | Crippen Calculated Property | |
| McVol | 141.310 | ml/mol | McGowan Calculated Property |
| Pc | 2613.74 | kPa | Joback Calculated Property |
| Tboil | 527.95 | K | Joback Calculated Property |
| Tc | 740.54 | K | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Methylhexyl isothiocyanate.
Sources
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