- InChI
- InChI=1S/C4H4ClNS/c1-4(5)2-6-3-7/h1-2H2
- InChI Key
- DGBFPSVUFUDQNA-UHFFFAOYSA-N
- Formula
- C4H4ClNS
- SMILES
- C=C(Cl)CN=C=S
- Molecular Weight1
- 133.60
- CAS
- 14214-31-4
- Other Names
-
- 1-Propene, 2-chloro-3-isothiocyanato-
- 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 | 258.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 38.73 | kJ/mol | Joback Calculated Property |
| log10WS | -1.93 | Crippen Calculated Property | |
| logPoct/wat | 1.842 | Crippen Calculated Property | |
| McVol | 92.890 | ml/mol | McGowan Calculated Property |
| Pc | 4056.96 | kPa | Joback Calculated Property |
| Tboil | 470.86 | K | Joback Calculated Property |
| Tc | 708.46 | K | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Chloroallyl isothiocyanate.
Sources
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