- InChI
- InChI=1S/C6H9NO2S/c1-3-9-6(8)5(2)7-4-10/h5H,3H2,1-2H3
- InChI Key
- ALJGYASQFZQQJX-UHFFFAOYSA-N
- Formula
- C6H9NO2S
- SMILES
- CCOC(=O)C(C)N=C=S
- Molecular Weight1
- 159.21
- CAS
- 39574-16-8
- Other Names
-
- 2-Isothiocyanato-propionic acid ethyl ester
- 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.
- 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 | -133.18 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.16 | kJ/mol | Joback Calculated Property |
| log10WS | -1.24 | Crippen Calculated Property | |
| logPoct/wat | 1.041 | Crippen Calculated Property | |
| McVol | 120.570 | ml/mol | McGowan Calculated Property |
| Pc | 3388.08 | kPa | Joback Calculated Property |
| Inp | 1141.80 | NIST | |
| Tboil | 558.48 | K | Joback Calculated Property |
| Tc | 784.71 | K | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Ethyl 2-isothiocyanatopropionate.
Sources
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