- InChI
- InChI=1S/C4H3NS/c1-2-3-5-4-6/h1H,3H2
- InChI Key
- XCXOHPXTLZMKQJ-UHFFFAOYSA-N
- Formula
- C4H3NS
- SMILES
- C#CCN=C=S
- Molecular Weight1
- 97.14
- CAS
- 24309-48-6
- Other Names
-
- 2-Propynyl thiocyanate
- 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 | 450.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 34.80 | kJ/mol | Joback Calculated Property |
| log10WS | -1.22 | Crippen Calculated Property | |
| logPoct/wat | 0.722 | Crippen Calculated Property | |
| McVol | 76.350 | ml/mol | McGowan Calculated Property |
| Pc | 4876.56 | kPa | Joback Calculated Property |
| Tboil | 426.99 | K | Joback Calculated Property |
| Tc | 665.79 | K | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Thiocyanic acid, 2-propynyl ester.
Sources
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