- InChI
- InChI=1S/C16H17NO2/c1-19-15-9-7-13(8-10-15)11-12-17-16(18)14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,17,18)
- InChI Key
- RAOWOXJDGFFKKD-UHFFFAOYSA-N
- Formula
- C16H17NO2
- SMILES
- COc1ccc(CCNC(=O)c2ccccc2)cc1
- Molecular Weight1
- 255.31
- CAS
- 3278-19-1
- 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° | 154.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -103.31 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 32.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.02 | kJ/mol | Joback Calculated Property |
| log10WS | -3.97 | Crippen Calculated Property | |
| logPoct/wat | 2.668 | Crippen Calculated Property | |
| McVol | 206.200 | ml/mol | McGowan Calculated Property |
| Pc | 2384.19 | kPa | Joback Calculated Property |
| Inp | [2363.20; 2363.20] |
|
|
| Inp | 2363.20 | NIST | |
| Inp | 2363.20 | NIST | |
| Tboil | 750.28 | K | Joback Calculated Property |
| Tc | 981.93 | K | Joback Calculated Property |
| Tfus | 460.26 | K | Joback Calculated Property |
| Vc | 0.774 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [571.36; 644.92] | J/mol×K | [750.28; 981.93] |
|
| Cp,gas | 571.36 | J/mol×K | 750.28 | Joback Calculated Property |
| Cp,gas | 586.44 | J/mol×K | 788.89 | Joback Calculated Property |
| Cp,gas | 600.32 | J/mol×K | 827.50 | Joback Calculated Property |
| Cp,gas | 613.05 | J/mol×K | 866.10 | Joback Calculated Property |
| Cp,gas | 624.70 | J/mol×K | 904.71 | Joback Calculated Property |
| Cp,gas | 635.30 | J/mol×K | 943.32 | Joback Calculated Property |
| Cp,gas | 644.92 | J/mol×K | 981.93 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to N-(4-Methoxyphenethyl)benzamide.
Sources
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