- InChI
- InChI=1S/C16H17NO/c1-3-13-7-9-14(10-8-13)16(18)17-15-6-4-5-12(2)11-15/h4-11H,3H2,1-2H3,(H,17,18)
- InChI Key
- HUVBOWFSUKATRD-UHFFFAOYSA-N
- Formula
- C16H17NO
- SMILES
- CCc1ccc(C(=O)Nc2cccc(C)c2)cc1
- Molecular Weight1
- 239.31
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 249.87 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 17.44 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 31.20 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.27 | kJ/mol | Joback Calculated Property |
| log10WS | -4.73 | Crippen Calculated Property | |
| logPoct/wat | 3.810 | Crippen Calculated Property | |
| McVol | 200.330 | ml/mol | McGowan Calculated Property |
| Pc | 2388.85 | kPa | Joback Calculated Property |
| Inp | 2267.00 | NIST | |
| Tboil | 732.84 | K | Joback Calculated Property |
| Tc | 968.43 | K | Joback Calculated Property |
| Tfus | 450.55 | K | Joback Calculated Property |
| Vc | 0.756 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [543.83; 620.00] | J/mol×K | [732.84; 968.43] | 
|
| Cp,gas | 543.83 | J/mol×K | 732.84 | Joback Calculated Property |
| Cp,gas | 559.26 | J/mol×K | 772.10 | Joback Calculated Property |
| Cp,gas | 573.51 | J/mol×K | 811.37 | Joback Calculated Property |
| Cp,gas | 586.64 | J/mol×K | 850.63 | Joback Calculated Property |
| Cp,gas | 598.72 | J/mol×K | 889.90 | Joback Calculated Property |
| Cp,gas | 609.82 | J/mol×K | 929.16 | Joback Calculated Property |
| Cp,gas | 620.00 | J/mol×K | 968.43 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, N-(3-methylphenyl)-4-ethyl-.
Sources
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