- InChI
- InChI=1S/C6H11NS/c1-3-6(4-2)7-5-8/h6H,3-4H2,1-2H3
- InChI Key
- YDRYFNXKCXDLPP-UHFFFAOYSA-N
- Formula
- C6H11NS
- SMILES
- CCC(CC)N=C=S
- Molecular Weight1
- 129.22
- CAS
- 201224-89-7
- 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 | 111.62 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 39.00 | kJ/mol | Joback Calculated Property |
| log10WS | -2.38 | Crippen Calculated Property | |
| logPoct/wat | 2.278 | Crippen Calculated Property | |
| McVol | 113.130 | ml/mol | McGowan Calculated Property |
| Pc | 3213.68 | kPa | Joback Calculated Property |
| Tboil | 482.19 | K | Joback Calculated Property |
| Tc | 701.74 | K | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Pentane isothiocyanate.
Sources
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