- InChI
- InChI=1S/C19H19NO4/c1-14(2)23-19(22)13-12-18(21)20-15-8-10-17(11-9-15)24-16-6-4-3-5-7-16/h3-14H,1-2H3,(H,20,21)/b13-12+
- InChI Key
- VNZLKYTVONWSFR-OUKQBFOZSA-N
- Formula
- C19H19NO4
- SMILES
-
CC(C)OC(=O)C=CC(=O)Nc1ccc(Oc2c
cccc2)cc1 - Molecular Weight1
- 325.36
- 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° | 23.62 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -298.09 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 40.01 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.42 | kJ/mol | Joback Calculated Property |
| log10WS | -4.23 | Crippen Calculated Property | |
| logPoct/wat | 3.925 | Crippen Calculated Property | |
| McVol | 251.610 | ml/mol | McGowan Calculated Property |
| Pc | 2010.90 | kPa | Joback Calculated Property |
| Inp | 2997.00 | NIST | |
| Tboil | 898.93 | K | Joback Calculated Property |
| Tc | 1134.47 | K | Joback Calculated Property |
| Tfus | 546.15 | K | Joback Calculated Property |
| Vc | 0.941 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [751.06; 810.14] | J/mol×K | [898.93; 1134.47] | 
|
| Cp,gas | 751.06 | J/mol×K | 898.93 | Joback Calculated Property |
| Cp,gas | 763.79 | J/mol×K | 938.19 | Joback Calculated Property |
| Cp,gas | 775.28 | J/mol×K | 977.44 | Joback Calculated Property |
| Cp,gas | 785.60 | J/mol×K | 1016.70 | Joback Calculated Property |
| Cp,gas | 794.81 | J/mol×K | 1055.96 | Joback Calculated Property |
| Cp,gas | 802.97 | J/mol×K | 1095.22 | Joback Calculated Property |
| Cp,gas | 810.14 | J/mol×K | 1134.47 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, monoamide, N-(4-phenoxyphenyl)-, isopropyl ester.
Sources
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