- InChI
- InChI=1S/C20H23NO4/c1-4-5-12-21(19(22)15-8-6-10-17(13-15)24-2)20(23)16-9-7-11-18(14-16)25-3/h6-11,13-14H,4-5,12H2,1-3H3
- InChI Key
- XCMLAVMKMUXMBQ-UHFFFAOYSA-N
- Formula
- C20H23NO4
- SMILES
-
CCCCN(C(=O)c1cccc(OC)c1)C(=O)c
1cccc(OC)c1 - Molecular Weight1
- 341.41
- 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).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -479.13 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 43.45 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 100.65 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.96 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.786 | Crippen Calculated Property | |
| McVol | 270.000 | ml/mol | McGowan Calculated Property |
| Inp | [2607.00; 2607.00] |
|
|
| Inp | 2607.00 | NIST | |
| Inp | 2607.00 | NIST | |
| Tboil | 684.99 | K | Relay (1.0) Calculated Property |
| Tfus | 354.73 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, 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.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [821.91; 887.63] | J/mol×K | [885.34; 1108.34] |
|
| Cp,gas | 821.91 | J/mol×K | 885.34 | Joback Calculated Property |
| Cp,gas | 835.93 | J/mol×K | 922.51 | Joback Calculated Property |
| Cp,gas | 848.66 | J/mol×K | 959.67 | Joback Calculated Property |
| Cp,gas | 860.16 | J/mol×K | 996.84 | Joback Calculated Property |
| Cp,gas | 870.46 | J/mol×K | 1034.01 | Joback Calculated Property |
| Cp,gas | 879.60 | J/mol×K | 1071.18 | Joback Calculated Property |
| Cp,gas | 887.63 | J/mol×K | 1108.34 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 3-methoxy-N-(3-methoxybenzoyl)-N-butyl-.
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
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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