- InChI
- InChI=1S/C15H15NO2/c1-11-4-3-5-12(10-11)15(17)16-13-6-8-14(18-2)9-7-13/h3-10H,1-2H3,(H,16,17)
- InChI Key
- PFLGYHSIMYVEQR-UHFFFAOYSA-N
- Formula
- C15H15NO2
- SMILES
- COc1ccc(NC(=O)c2cccc(C)c2)cc1
- Molecular Weight1
- 241.29
- 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 | 0.6991 | Relay (1.0) Calculated Property | |
| ΔfG° | 136.45 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -159.54 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 29.80 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 93.77 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.62 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.23 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.256 | Crippen Calculated Property | |
| McVol | 192.110 | ml/mol | McGowan Calculated Property |
| Pc | 2584.59 | kPa | Joback Calculated Property |
| Inp | [2328.00; 2328.00] |
|
|
| Inp | 2328.00 | NIST | |
| Inp | 2328.00 | NIST | |
| Tboil | 643.82 | K | Relay (1.0) Calculated Property |
| Tc | 926.45 | K | Relay (1.0) Calculated Property |
| Tfus | 397.80 | K | Relay (1.0) Calculated Property |
| Vc | 0.695 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [516.70; 587.90] | J/mol×K | [732.38; 969.14] |
|
| Cp,gas | 516.70 | J/mol×K | 732.38 | Joback Calculated Property |
| Cp,gas | 531.33 | J/mol×K | 771.84 | Joback Calculated Property |
| Cp,gas | 544.80 | J/mol×K | 811.30 | Joback Calculated Property |
| Cp,gas | 557.14 | J/mol×K | 850.76 | Joback Calculated Property |
| Cp,gas | 568.42 | J/mol×K | 890.22 | Joback Calculated Property |
| Cp,gas | 578.65 | J/mol×K | 929.68 | Joback Calculated Property |
| Cp,gas | 587.90 | J/mol×K | 969.14 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, N-(4-methoxyphenyl)-3-methyl-.
Sources
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