- InChI
- InChI=1S/C11H13NS/c1-3-9-6-5-7-10(4-2)11(9)12-8-13/h5-7H,3-4H2,1-2H3
- InChI Key
- QDPPZHPTDMQNBE-UHFFFAOYSA-N
- Formula
- C11H13NS
- SMILES
- CCc1cccc(CC)c1N=C=S
- Molecular Weight1
- 191.29
- CAS
- 25343-69-5
- 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 | 227.29 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.12 | kJ/mol | Joback Calculated Property |
| log10WS | -4.00 | Crippen Calculated Property | |
| logPoct/wat | 3.546 | Crippen Calculated Property | |
| McVol | 159.820 | ml/mol | McGowan Calculated Property |
| Pc | 2627.15 | kPa | Joback Calculated Property |
| Tboil | 633.67 | K | Joback Calculated Property |
| Tc | 878.48 | K | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,6-Diethylphenyl isothiocyanate.
Sources
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