- InChI
- InChI=1S/C11H15NO/c1-3-5-11(13)12-10-7-4-6-9(2)8-10/h4,6-8H,3,5H2,1-2H3,(H,12,13)
- InChI Key
- HHJVHZGGWADBKL-UHFFFAOYSA-N
- Formula
- C11H15NO
- SMILES
- CCCC(O)=Nc1cccc(C)c1
- Molecular Weight1
- 177.24
- CAS
- 69833-26-7
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- 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).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.7216 | Relay (1.0) Calculated Property | |
| ΔfG° | 67.73 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -168.38 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 88.76 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.09 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.86 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.383 | Crippen Calculated Property | |
| McVol | 153.640 | ml/mol | McGowan Calculated Property |
| Pc | 2587.22 | kPa | Joback Calculated Property |
| Inp | [1597.00; 1597.00] |
|
|
| Inp | 1597.00 | NIST | |
| Inp | 1597.00 | NIST | |
| Tboil | 570.88 | K | Relay (1.0) Calculated Property |
| Tc | 762.70 | K | Relay (1.0) Calculated Property |
| Tfus | 360.85 | K | Relay (1.0) Calculated Property |
| Vc | 0.556 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Butanamide, N-(3-methylphenyl)-.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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