- InChI
- InChI=1S/C23H19NO3/c1-24(19-12-6-3-7-13-19)22(25)16-17-23(26)27-21-15-9-8-14-20(21)18-10-4-2-5-11-18/h2-17H,1H3/b17-16+
- InChI Key
- XXVOJHZYCPTKNX-WUKNDPDISA-N
- Formula
- C23H19NO3
- SMILES
-
CN(C(=O)C=CC(=O)Oc1ccccc1-c1cc
ccc1)c1ccccc1 - Molecular Weight1
- 357.40
- 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° | 298.54 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 7.44 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 44.67 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 92.19 | kJ/mol | Joback Calculated Property |
| log10WS | -5.99 | Crippen Calculated Property | |
| logPoct/wat | 4.478 | Crippen Calculated Property | |
| McVol | 278.340 | ml/mol | McGowan Calculated Property |
| Pc | 1908.57 | kPa | Joback Calculated Property |
| Inp | [3063.00; 3063.00] |
|
|
| Inp | 3063.00 | NIST | |
| Inp | 3063.00 | NIST | |
| Tboil | 957.42 | K | Joback Calculated Property |
| Tc | 1210.52 | K | Joback Calculated Property |
| Tfus | 590.23 | K | Joback Calculated Property |
| Vc | 1.028 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [838.27; 901.33] | J/mol×K | [957.42; 1210.52] |
|
| Cp,gas | 838.27 | J/mol×K | 957.42 | Joback Calculated Property |
| Cp,gas | 851.17 | J/mol×K | 999.60 | Joback Calculated Property |
| Cp,gas | 862.93 | J/mol×K | 1041.79 | Joback Calculated Property |
| Cp,gas | 873.67 | J/mol×K | 1083.97 | Joback Calculated Property |
| Cp,gas | 883.56 | J/mol×K | 1126.15 | Joback Calculated Property |
| Cp,gas | 892.73 | J/mol×K | 1168.34 | Joback Calculated Property |
| Cp,gas | 901.33 | J/mol×K | 1210.52 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, monoamide, N-methyl-N-phenyl-, 2-biphenyl ester.
Sources
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