- InChI
- InChI=1S/C17H33NS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-17-19/h2-16H2,1H3
- InChI Key
- KLULJVSOVKADRQ-UHFFFAOYSA-N
- Formula
- C17H33NS
- SMILES
- CCCCCCCCCCCCCCCCN=C=S
- Molecular Weight1
- 283.52
- CAS
- 4426-87-3
- 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 | -110.14 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.88 | kJ/mol | Joback Calculated Property |
| log10WS | -6.87 | Crippen Calculated Property | |
| logPoct/wat | 6.571 | Crippen Calculated Property | |
| McVol | 268.120 | ml/mol | McGowan Calculated Property |
| Pc | 1250.38 | kPa | Joback Calculated Property |
| Tboil | 734.31 | K | Joback Calculated Property |
| Tc | 922.72 | K | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Hexadecyl isothiocyanate.
Sources
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