- InChI
- InChI=1S/C17H17NO4/c1-18(16(19)12-6-4-8-14(10-12)21-2)17(20)13-7-5-9-15(11-13)22-3/h4-11H,1-3H3
- InChI Key
- SQQGHUZPDMSBNL-UHFFFAOYSA-N
- Formula
- C17H17NO4
- SMILES
-
COc1cccc(C(=O)N(C)C(=O)c2cccc(
OC)c2)c1 - Molecular Weight1
- 299.32
- 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° | -59.24 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -366.16 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 35.68 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.67 | kJ/mol | Joback Calculated Property |
| log10WS | -3.82 | Crippen Calculated Property | |
| logPoct/wat | 2.616 | Crippen Calculated Property | |
| McVol | 227.730 | ml/mol | McGowan Calculated Property |
| Pc | 2208.29 | kPa | Joback Calculated Property |
| Inp | [2380.00; 2380.00] |
|
|
| Inp | 2380.00 | NIST | |
| Inp | 2380.00 | NIST | |
| Tboil | 816.70 | K | Joback Calculated Property |
| Tc | 1046.56 | K | Joback Calculated Property |
| Tfus | 536.02 | K | Joback Calculated Property |
| Vc | 0.838 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [651.87; 715.96] | J/mol×K | [816.70; 1046.56] |
|
| Cp,gas | 651.87 | J/mol×K | 816.70 | Joback Calculated Property |
| Cp,gas | 665.52 | J/mol×K | 855.01 | Joback Calculated Property |
| Cp,gas | 677.94 | J/mol×K | 893.32 | Joback Calculated Property |
| Cp,gas | 689.16 | J/mol×K | 931.63 | Joback Calculated Property |
| Cp,gas | 699.22 | J/mol×K | 969.94 | Joback Calculated Property |
| Cp,gas | 708.14 | J/mol×K | 1008.25 | Joback Calculated Property |
| Cp,gas | 715.96 | J/mol×K | 1046.56 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 3-methoxy-N-(3-methoxybenzoyl)-N-methyl-.
Sources
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