- InChI
- InChI=1S/C12H15NO/c1-9(2)7-12(14)13-11-6-4-5-10(3)8-11/h4-8H,1-3H3,(H,13,14)
- InChI Key
- BBEWYYXUPWRIRQ-UHFFFAOYSA-N
- Formula
- C12H15NO
- SMILES
- CC(C)=CC(=O)Nc1cccc(C)c1
- Molecular Weight1
- 189.25
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion 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 | 0.5757 | Relay (1.0) Calculated Property | |
| ΔfG° | 185.08 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -114.72 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 26.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.95 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.99 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.43 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.900 | Crippen Calculated Property | |
| McVol | 163.430 | ml/mol | McGowan Calculated Property |
| Pc | 2709.85 | kPa | Joback Calculated Property |
| Inp | 1733.00 | NIST | |
| Tboil | 567.82 | K | Relay (1.0) Calculated Property |
| Tc | 811.56 | K | Relay (1.0) Calculated Property |
| Tfus | 368.36 | K | Relay (1.0) Calculated Property |
| Vc | 0.582 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [398.67; 473.20] | J/mol×K | [613.70; 835.41] | 
|
| Cp,gas | 398.67 | J/mol×K | 613.70 | Joback Calculated Property |
| Cp,gas | 413.31 | J/mol×K | 650.65 | Joback Calculated Property |
| Cp,gas | 426.99 | J/mol×K | 687.60 | Joback Calculated Property |
| Cp,gas | 439.76 | J/mol×K | 724.55 | Joback Calculated Property |
| Cp,gas | 451.69 | J/mol×K | 761.51 | Joback Calculated Property |
| Cp,gas | 462.81 | J/mol×K | 798.46 | Joback Calculated Property |
| Cp,gas | 473.20 | J/mol×K | 835.41 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Butenamide, N-(3-methylphenyl)-3-methyl-.
Sources
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