- InChI
- InChI=1S/C20H20O4/c1-15(2)14-23-19(21)12-13-20(22)24-18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-13,15H,14H2,1-2H3/b13-12+
- InChI Key
- BJOZXOHZSLCWDG-OUKQBFOZSA-N
- Formula
- C20H20O4
- SMILES
-
CC(C)COC(=O)C=CC(=O)Oc1ccc(-c2
ccccc2)cc1 - Molecular Weight1
- 324.37
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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 | 0.7983 | Relay (1.0) Calculated Property | |
| ΔfG° | -57.35 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -526.24 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 37.50 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 107.44 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.54 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.41 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.014 | Crippen Calculated Property | |
| McVol | 255.720 | ml/mol | McGowan Calculated Property |
| Pc | 1827.85 | kPa | Joback Calculated Property |
| Inp | 2675.00 | NIST | |
| Tboil | 667.93 | K | Relay (1.0) Calculated Property |
| Tc | 898.79 | K | Relay (1.0) Calculated Property |
| Tfus | 380.83 | K | Relay (1.0) Calculated Property |
| Vc | 0.904 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [754.65; 820.69] | J/mol×K | [871.64; 1104.81] | 
|
| Cp,gas | 754.65 | J/mol×K | 871.64 | Joback Calculated Property |
| Cp,gas | 768.61 | J/mol×K | 910.50 | Joback Calculated Property |
| Cp,gas | 781.30 | J/mol×K | 949.36 | Joback Calculated Property |
| Cp,gas | 792.80 | J/mol×K | 988.22 | Joback Calculated Property |
| Cp,gas | 803.15 | J/mol×K | 1027.09 | Joback Calculated Property |
| Cp,gas | 812.43 | J/mol×K | 1065.95 | Joback Calculated Property |
| Cp,gas | 820.69 | J/mol×K | 1104.81 | Joback Calculated Property |
| η | [0.0000448; 0.0005291] | Pa×s | [504.76; 871.64] |
|
| η | 0.0005291 | Pa×s | 504.76 | Joback Calculated Property |
| η | 0.0002808 | Pa×s | 565.91 | Joback Calculated Property |
| η | 0.0001686 | Pa×s | 627.05 | Joback Calculated Property |
| η | 0.0001109 | Pa×s | 688.20 | Joback Calculated Property |
| η | 0.0000780 | Pa×s | 749.35 | Joback Calculated Property |
| η | 0.0000579 | Pa×s | 810.49 | Joback Calculated Property |
| η | 0.0000448 | Pa×s | 871.64 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, isobutyl 4-phenylphenyl ester.
Sources
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