- InChI
- InChI=1S/C20H20O4/c1-3-15-7-5-9-17(13-15)23-19(21)11-12-20(22)24-18-10-6-8-16(4-2)14-18/h5-14H,3-4H2,1-2H3/b12-11+
- InChI Key
- SGPKQMANPYGMQT-VAWYXSNFSA-N
- Formula
- C20H20O4
- SMILES
-
CCc1cccc(OC(=O)C=CC(=O)Oc2cccc
(CC)c2)c1 - 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).
- 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 | 0.8541 | Relay (1.0) Calculated Property | |
| ΔfG° | -217.44 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -534.45 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 43.80 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 109.29 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.50 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.879 | Crippen Calculated Property | |
| McVol | 255.720 | ml/mol | McGowan Calculated Property |
| Pc | 1674.16 | kPa | Joback Calculated Property |
| Inp | [2634.00; 2634.00] |
|
|
| Inp | 2634.00 | NIST | |
| Inp | 2634.00 | NIST | |
| Tboil | 640.98 | K | Relay (1.0) Calculated Property |
| Tc | 902.57 | K | Relay (1.0) Calculated Property |
| Tfus | 331.83 | K | Relay (1.0) Calculated Property |
| Vc | 0.916 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Log10 of Water solubility in mol/l for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [743.61; 808.68] | J/mol×K | [841.12; 1068.33] |
|
| Cp,gas | 743.61 | J/mol×K | 841.12 | Joback Calculated Property |
| Cp,gas | 757.59 | J/mol×K | 878.99 | Joback Calculated Property |
| Cp,gas | 770.25 | J/mol×K | 916.86 | Joback Calculated Property |
| Cp,gas | 781.64 | J/mol×K | 954.72 | Joback Calculated Property |
| Cp,gas | 791.80 | J/mol×K | 992.59 | Joback Calculated Property |
| Cp,gas | 800.80 | J/mol×K | 1030.46 | Joback Calculated Property |
| Cp,gas | 808.68 | J/mol×K | 1068.33 | Joback Calculated Property |
| η | [0.0000381; 0.0005670] | Pa×s | [472.62; 841.12] |
|
| η | 0.0005670 | Pa×s | 472.62 | Joback Calculated Property |
| η | 0.0002790 | Pa×s | 534.04 | Joback Calculated Property |
| η | 0.0001589 | Pa×s | 595.45 | Joback Calculated Property |
| η | 0.0001006 | Pa×s | 656.87 | Joback Calculated Property |
| η | 0.0000688 | Pa×s | 718.29 | Joback Calculated Property |
| η | 0.0000500 | Pa×s | 779.70 | Joback Calculated Property |
| η | 0.0000381 | Pa×s | 841.12 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, di(3-ethylphenyl) ester.
Sources
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