- InChI
- InChI=1S/C6H9NS/c1-3-6(2)4-7-5-8/h3,6H,1,4H2,2H3
- InChI Key
- ISVIEXMVIMLCSG-UHFFFAOYSA-N
- Formula
- C6H9NS
- SMILES
- C=CC(C)CN=C=S
- Molecular Weight1
- 127.21
- 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).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- 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 | 237.05 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 38.33 | kJ/mol | Joback Calculated Property |
| log10WS | -1.88 | Crippen Calculated Property | |
| logPoct/wat | 1.911 | Crippen Calculated Property | |
| McVol | 108.830 | ml/mol | McGowan Calculated Property |
| Pc | 3372.36 | kPa | Joback Calculated Property |
| Inp | 1451.00 | NIST | |
| I | 1948.00 | NIST | |
| Tboil | 478.87 | K | Joback Calculated Property |
| Tc | 703.48 | K | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-hydroxy-3-butenyl isothiocyanate.
Sources
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