- InChI
- InChI=1S/C13H25NS/c1-2-3-4-5-6-7-8-9-10-11-12-14-13-15/h2-12H2,1H3
- InChI Key
- LPVQVNLMFKGGCH-UHFFFAOYSA-N
- Formula
- C13H25NS
- SMILES
- CCCCCCCCCCCCN=C=S
- Molecular Weight1
- 227.41
- CAS
- 1072-32-8
- 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 | -27.58 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.97 | kJ/mol | Joback Calculated Property |
| log10WS | -5.20 | Crippen Calculated Property | |
| logPoct/wat | 5.010 | Crippen Calculated Property | |
| McVol | 211.760 | ml/mol | McGowan Calculated Property |
| Pc | 1674.16 | kPa | Joback Calculated Property |
| Tboil | 642.79 | K | Joback Calculated Property |
| Tc | 836.76 | K | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dodecyl isothiocyanate.
Sources
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