- InChI
- InChI=1S/C4H6N2O/c1-4(7)6-3-2-5/h3H2,1H3,(H,6,7)
- InChI Key
- LHWCUMYXUCPQSZ-UHFFFAOYSA-N
- Formula
- C4H6N2O
- SMILES
- CC(O)=NCC#N
- Molecular Weight1
- 98.10
- CAS
- 4814-80-6
- 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 | -40.81 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.05 | kJ/mol | Joback Calculated Property |
| log10WS | -0.35 | Crippen Calculated Property | |
| logPoct/wat | 0.486 | Crippen Calculated Property | |
| McVol | 80.150 | ml/mol | McGowan Calculated Property |
| Pc | 3740.80 | kPa | Joback Calculated Property |
| Tboil | 561.74 | K | Joback Calculated Property |
| Tc | 765.82 | K | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Acetamide, n-(cyanomethyl)-.
Sources
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