- InChI
- InChI=1S/C15H15NO/c1-11(2)10-15(17)16-14-9-5-7-12-6-3-4-8-13(12)14/h3-10H,1-2H3,(H,16,17)
- InChI Key
- HJQFJYVYQIBYLZ-UHFFFAOYSA-N
- Formula
- C15H15NO
- SMILES
- CC(C)=CC(=O)Nc1cccc2ccccc12
- Molecular Weight1
- 225.29
- 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 | 0.6089 | Relay (1.0) Calculated Property | |
| ΔfG° | 316.99 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -21.54 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 30.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.09 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.73 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.30 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.744 | Crippen Calculated Property | |
| McVol | 186.240 | ml/mol | McGowan Calculated Property |
| Pc | 2592.49 | kPa | Joback Calculated Property |
| Inp | 2133.00 | NIST | |
| Tboil | 630.69 | K | Relay (1.0) Calculated Property |
| Tc | 922.11 | K | Relay (1.0) Calculated Property |
| Tfus | 412.60 | K | Relay (1.0) Calculated Property |
| Vc | 0.658 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [487.71; 560.62] | J/mol×K | [701.32; 937.32] | 
|
| Cp,gas | 487.71 | J/mol×K | 701.32 | Joback Calculated Property |
| Cp,gas | 502.15 | J/mol×K | 740.65 | Joback Calculated Property |
| Cp,gas | 515.53 | J/mol×K | 779.99 | Joback Calculated Property |
| Cp,gas | 527.96 | J/mol×K | 819.32 | Joback Calculated Property |
| Cp,gas | 539.55 | J/mol×K | 858.66 | Joback Calculated Property |
| Cp,gas | 550.40 | J/mol×K | 897.99 | Joback Calculated Property |
| Cp,gas | 560.62 | J/mol×K | 937.32 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Butenamide, N-(1-naphthyl)-3-methyl-.
Sources
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