- InChI
- InChI=1S/C17H19NO2/c1-4-18(15-9-5-7-13(2)11-15)17(19)14-8-6-10-16(12-14)20-3/h5-12H,4H2,1-3H3
- InChI Key
- WQNZNISNAJJSRF-UHFFFAOYSA-N
- Formula
- C17H19NO2
- SMILES
-
CCN(C(=O)c1cccc(OC)c1)c1cccc(C
)c1 - Molecular Weight1
- 269.34
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -186.09 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 32.90 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 96.30 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.69 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.670 | Crippen Calculated Property | |
| McVol | 220.290 | ml/mol | McGowan Calculated Property |
| Inp | [2062.00; 2062.00] |
|
|
| Inp | 2062.00 | NIST | |
| Inp | 2062.00 | NIST | |
| Tboil | 650.60 | K | Relay (1.0) Calculated Property |
| Tc | 898.73 | K | Relay (1.0) Calculated Property |
| Tfus | 345.67 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [288.54; 698.79] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -2.96090e+01 | |||
| Coefficient B | 1.37476e+00 | |||
| Coefficient C | -8.12220e-04 | |||
| Coefficient D | 1.65860e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 288.54 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 362.44 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 428.03 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 485.85 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 536.41 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 580.25 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 617.88 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 649.83 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 676.63 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 698.79 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, N-ethyl-N-(3-methylphenyl)-3-methoxy-.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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