- InChI
- InChI=1S/C21H23NO4/c1-3-7-16(2)25-21(24)15-14-20(23)22-17-10-12-19(13-11-17)26-18-8-5-4-6-9-18/h4-6,8-16H,3,7H2,1-2H3,(H,22,23)/b15-14+
- InChI Key
- OQFBHKOZWWEKKI-CCEZHUSRSA-N
- Formula
- C21H23NO4
- SMILES
-
CCCC(C)OC(=O)C=CC(=O)Nc1ccc(Oc
2ccccc2)cc1 - Molecular Weight1
- 353.41
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.8931 | Relay (1.0) Calculated Property | |
| ΔfG° | 40.46 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -518.41 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 45.19 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 112.89 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.75 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.36 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.705 | Crippen Calculated Property | |
| McVol | 279.790 | ml/mol | McGowan Calculated Property |
| Pc | 1704.71 | kPa | Joback Calculated Property |
| Inp | 3214.00 | NIST | |
| Tboil | 682.50 | K | Relay (1.0) Calculated Property |
| Tc | 955.13 | K | Relay (1.0) Calculated Property |
| Tfus | 369.14 | K | Relay (1.0) Calculated Property |
| Vc | 0.973 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [866.41; 926.73] | J/mol×K | [944.69; 1176.80] | 
|
| Cp,gas | 866.41 | J/mol×K | 944.69 | Joback Calculated Property |
| Cp,gas | 879.36 | J/mol×K | 983.37 | Joback Calculated Property |
| Cp,gas | 891.05 | J/mol×K | 1022.06 | Joback Calculated Property |
| Cp,gas | 901.57 | J/mol×K | 1060.74 | Joback Calculated Property |
| Cp,gas | 910.98 | J/mol×K | 1099.43 | Joback Calculated Property |
| Cp,gas | 919.34 | J/mol×K | 1138.11 | Joback Calculated Property |
| Cp,gas | 926.73 | J/mol×K | 1176.80 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, monoamide, N-(4-phenoxyphenyl)-, 2-pentyl ester.
Sources
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