- InChI
- InChI=1S/C12H17NO/c1-3-4-8-13-12(14)11-7-5-6-10(2)9-11/h5-7,9H,3-4,8H2,1-2H3,(H,13,14)
- InChI Key
- NXDWJMPJVGIQBB-UHFFFAOYSA-N
- Formula
- C12H17NO
- SMILES
- CCCCN=C(O)c1cccc(C)c1
- Molecular Weight1
- 191.27
- 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 | -145.75 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.32 | kJ/mol | Joback Calculated Property |
| log10WS | -3.09 | Crippen Calculated Property | |
| logPoct/wat | 3.100 | Crippen Calculated Property | |
| McVol | 167.730 | ml/mol | McGowan Calculated Property |
| Pc | 2351.92 | kPa | Joback Calculated Property |
| Inp | 1766.00 | NIST | |
| Tboil | 674.36 | K | Joback Calculated Property |
| Tc | 880.11 | K | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 3-methyl-N-butyl-.
Sources
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