- InChI
- InChI=1S/C21H17NO3/c1-22(17-10-3-2-4-11-17)20(23)14-15-21(24)25-19-13-7-9-16-8-5-6-12-18(16)19/h2-15H,1H3/b15-14+
- InChI Key
- LEALJGJJNFWDDP-CCEZHUSRSA-N
- Formula
- C21H17NO3
- SMILES
-
CN(C(=O)C=CC(=O)Oc1cccc2ccccc1
2)c1ccccc1 - Molecular Weight1
- 331.36
- 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° | 275.94 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 3.26 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 42.47 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.10 | kJ/mol | Joback Calculated Property |
| log10WS | -5.19 | Crippen Calculated Property | |
| logPoct/wat | 3.964 | Crippen Calculated Property | |
| McVol | 254.460 | ml/mol | McGowan Calculated Property |
| Pc | 2098.42 | kPa | Joback Calculated Property |
| Inp | 3108.00 | NIST | |
| Tboil | 903.96 | K | Joback Calculated Property |
| Tc | 1151.00 | K | Joback Calculated Property |
| Tfus | 573.97 | K | Joback Calculated Property |
| Vc | 0.946 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [746.70; 814.02] | J/mol×K | [903.96; 1151.00] | 
|
| Cp,gas | 746.70 | J/mol×K | 903.96 | Joback Calculated Property |
| Cp,gas | 759.83 | J/mol×K | 945.13 | Joback Calculated Property |
| Cp,gas | 771.99 | J/mol×K | 986.31 | Joback Calculated Property |
| Cp,gas | 783.34 | J/mol×K | 1027.48 | Joback Calculated Property |
| Cp,gas | 794.03 | J/mol×K | 1068.65 | Joback Calculated Property |
| Cp,gas | 804.21 | J/mol×K | 1109.82 | Joback Calculated Property |
| Cp,gas | 814.02 | J/mol×K | 1151.00 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, monoamide, N-methyl-N-phenyl-, 1-naphthyl ester.
Sources
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