- InChI
- InChI=1S/C20H28O4/c1-5-7-8-17(6-2)14-23-19(21)9-10-20(22)24-18-12-15(3)11-16(4)13-18/h9-13,17H,5-8,14H2,1-4H3/b10-9+
- InChI Key
- WSDNHSPDPXRVKI-MDZDMXLPSA-N
- Formula
- C20H28O4
- SMILES
-
CCCCC(CC)COC(=O)C=CC(=O)Oc1cc(
C)cc(C)c1 - Molecular Weight1
- 332.43
- 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).
- 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° | -179.39 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -620.20 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 43.07 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.60 | kJ/mol | Joback Calculated Property |
| log10WS | -5.40 | Crippen Calculated Property | |
| logPoct/wat | 4.525 | Crippen Calculated Property | |
| McVol | 279.480 | ml/mol | McGowan Calculated Property |
| Pc | 1387.11 | kPa | Joback Calculated Property |
| Inp | 2414.00 | NIST | |
| Tboil | 849.94 | K | Joback Calculated Property |
| Tc | 1056.88 | K | Joback Calculated Property |
| Tfus | 490.86 | K | Joback Calculated Property |
| Vc | 1.069 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [851.04; 929.34] | J/mol×K | [849.94; 1056.88] | 
|
| Cp,gas | 851.04 | J/mol×K | 849.94 | Joback Calculated Property |
| Cp,gas | 866.76 | J/mol×K | 884.43 | Joback Calculated Property |
| Cp,gas | 881.38 | J/mol×K | 918.92 | Joback Calculated Property |
| Cp,gas | 894.91 | J/mol×K | 953.41 | Joback Calculated Property |
| Cp,gas | 907.40 | J/mol×K | 987.90 | Joback Calculated Property |
| Cp,gas | 918.87 | J/mol×K | 1022.39 | Joback Calculated Property |
| Cp,gas | 929.34 | J/mol×K | 1056.88 | Joback Calculated Property |
| η | [0.0000444; 0.0005271] | Pa×s | [490.86; 849.94] |
|
| η | 0.0005271 | Pa×s | 490.86 | Joback Calculated Property |
| η | 0.0002789 | Pa×s | 550.71 | Joback Calculated Property |
| η | 0.0001672 | Pa×s | 610.55 | Joback Calculated Property |
| η | 0.0001098 | Pa×s | 670.40 | Joback Calculated Property |
| η | 0.0000773 | Pa×s | 730.25 | Joback Calculated Property |
| η | 0.0000573 | Pa×s | 790.09 | Joback Calculated Property |
| η | 0.0000444 | Pa×s | 849.94 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 3,5-dimethylphenyl 2-ethylhexyl ester.
Sources
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