- InChI
- InChI=1S/C16H17NO/c1-17(13-12-14-8-4-2-5-9-14)16(18)15-10-6-3-7-11-15/h2-11H,12-13H2,1H3
- InChI Key
- RIYFWDVINGTSQT-UHFFFAOYSA-N
- Formula
- C16H17NO
- SMILES
- CN(CCc1ccccc1)C(=O)c1ccccc1
- 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.
- I : 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° | 290.52 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 54.44 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 29.90 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.55 | kJ/mol | Joback Calculated Property |
| log10WS | -3.65 | Crippen Calculated Property | |
| logPoct/wat | 3.001 | Crippen Calculated Property | |
| McVol | 200.330 | ml/mol | McGowan Calculated Property |
| Pc | 2424.27 | kPa | Joback Calculated Property |
| Inp | [2023.03; 2077.79] |
|
|
| Inp | 2029.09 | NIST | |
| Inp | 2077.79 | NIST | |
| Inp | 2023.03 | NIST | |
| Inp | 2072.18 | NIST | |
| Inp | 2029.09 | NIST | |
| I | [2738.82; 2836.64] |
|
|
| I | 2738.82 | NIST | |
| I | 2787.88 | NIST | |
| I | 2836.64 | NIST | |
| I | 2738.82 | NIST | |
| Tboil | 685.15 | K | Joback Calculated Property |
| Tc | 917.78 | K | Joback Calculated Property |
| Tfus | 405.32 | K | Joback Calculated Property |
| Vc | 0.740 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [531.21; 614.04] | J/mol×K | [685.15; 917.78] |
|
| Cp,gas | 531.21 | J/mol×K | 685.15 | Joback Calculated Property |
| Cp,gas | 548.03 | J/mol×K | 723.92 | Joback Calculated Property |
| Cp,gas | 563.52 | J/mol×K | 762.69 | Joback Calculated Property |
| Cp,gas | 577.78 | J/mol×K | 801.47 | Joback Calculated Property |
| Cp,gas | 590.90 | J/mol×K | 840.24 | Joback Calculated Property |
| Cp,gas | 602.95 | J/mol×K | 879.01 | Joback Calculated Property |
| Cp,gas | 614.04 | J/mol×K | 917.78 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to N-(2-phenylethyl)-N-methyl-benzamide.
Sources
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