- InChI
- InChI=1S/C12H17NO2/c1-9(2)8-13-12(14)10-5-4-6-11(7-10)15-3/h4-7,9H,8H2,1-3H3,(H,13,14)
- InChI Key
- BNFJAAKDMOPMEN-UHFFFAOYSA-N
- Formula
- C12H17NO2
- SMILES
- COc1cccc(C(O)=NCC(C)C)c1
- Molecular Weight1
- 207.27
- 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 | -283.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.34 | kJ/mol | Joback Calculated Property |
| log10WS | -2.49 | Crippen Calculated Property | |
| logPoct/wat | 2.656 | Crippen Calculated Property | |
| McVol | 173.600 | ml/mol | McGowan Calculated Property |
| Pc | 2331.52 | kPa | Joback Calculated Property |
| Inp | 1844.00 | NIST | |
| Tboil | 696.34 | K | Joback Calculated Property |
| Tc | 903.86 | K | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 3-methoxy-N-isobutyl-.
Sources
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