- InChI
- InChI=1S/C10H10N2O/c1-8(13)12-10-4-2-9(3-5-10)6-7-11/h2-5H,6H2,1H3,(H,12,13)
- InChI Key
- SPAOQNOLRMENDZ-UHFFFAOYSA-N
- Formula
- C10H10N2O
- SMILES
- CC(O)=Nc1ccc(CC#N)cc1
- Molecular Weight1
- 174.20
- CAS
- 25025-06-3
- 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 | 60.41 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.34 | kJ/mol | Joback Calculated Property |
| log10WS | -2.53 | Crippen Calculated Property | |
| logPoct/wat | 2.361 | Crippen Calculated Property | |
| McVol | 140.930 | ml/mol | McGowan Calculated Property |
| Pc | 2784.72 | kPa | Joback Calculated Property |
| Tboil | 730.68 | K | Joback Calculated Property |
| Tc | 954.90 | K | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Acetamidophenylacetonitrile.
Sources
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