- InChI
- InChI=1S/C20H23NO4/c1-14(2)13-21(19(22)15-7-5-9-17(11-15)24-3)20(23)16-8-6-10-18(12-16)25-4/h5-12,14H,13H2,1-4H3
- InChI Key
- VVSVLYWTZCKTHM-UHFFFAOYSA-N
- Formula
- C20H23NO4
- SMILES
-
COc1cccc(C(=O)N(CC(C)C)C(=O)c2
cccc(OC)c2)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 | -493.11 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 39.93 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 98.84 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.96 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.642 | Crippen Calculated Property | |
| McVol | 270.000 | ml/mol | McGowan Calculated Property |
| Inp | [2510.00; 2510.00] |
|
|
| Inp | 2510.00 | NIST | |
| Inp | 2510.00 | NIST | |
| Tboil | 680.59 | K | Relay (1.0) Calculated Property |
| Tfus | 372.75 | 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 | [822.44; 888.34] | J/mol×K | [884.90; 1110.59] |
|
| Cp,gas | 822.44 | J/mol×K | 884.90 | Joback Calculated Property |
| Cp,gas | 836.59 | J/mol×K | 922.51 | Joback Calculated Property |
| Cp,gas | 849.42 | J/mol×K | 960.13 | Joback Calculated Property |
| Cp,gas | 860.97 | J/mol×K | 997.74 | Joback Calculated Property |
| Cp,gas | 871.27 | J/mol×K | 1035.36 | Joback Calculated Property |
| Cp,gas | 880.38 | J/mol×K | 1072.97 | Joback Calculated Property |
| Cp,gas | 888.34 | J/mol×K | 1110.59 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 3-methoxy-N-(3-methoxybenzoyl)-N-isobutyl-.
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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