- InChI
- InChI=1S/C6H11NS/c1-6(2,3)4-7-5-8/h4H2,1-3H3
- InChI Key
- RNMOLQDSODXHBY-UHFFFAOYSA-N
- Formula
- C6H11NS
- SMILES
- CC(C)(C)CN=C=S
- Molecular Weight1
- 129.22
- CAS
- 597-97-7
- 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 | 108.15 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 38.09 | kJ/mol | Joback Calculated Property |
| log10WS | -2.03 | Crippen Calculated Property | |
| logPoct/wat | 2.135 | Crippen Calculated Property | |
| McVol | 113.130 | ml/mol | McGowan Calculated Property |
| Pc | 3254.14 | kPa | Joback Calculated Property |
| Tboil | 479.40 | K | Joback Calculated Property |
| Tc | 708.67 | K | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Neopentyl isothiocyanate.
Sources
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