- InChI
- InChI=1S/C21H24O4/c1-3-16(4-2)14-24-20(22)11-12-21(23)25-15-17-9-10-18-7-5-6-8-19(18)13-17/h5-13,16H,3-4,14-15H2,1-2H3/b12-11+
- InChI Key
- CQJMVZUCOGWSKD-VAWYXSNFSA-N
- Formula
- C21H24O4
- SMILES
-
CCC(CC)COC(=O)C=CC(=O)OCc1ccc2
ccccc2c1 - Molecular Weight1
- 340.41
- 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° | -54.69 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -438.30 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 43.07 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.80 | kJ/mol | Joback Calculated Property |
| log10WS | -5.68 | Crippen Calculated Property | |
| logPoct/wat | 4.419 | Crippen Calculated Property | |
| McVol | 274.110 | ml/mol | McGowan Calculated Property |
| Pc | 1573.45 | kPa | Joback Calculated Property |
| Inp | 2740.00 | NIST | |
| Tboil | 886.82 | K | Joback Calculated Property |
| Tc | 1107.45 | K | Joback Calculated Property |
| Tfus | 522.31 | K | Joback Calculated Property |
| Vc | 1.048 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [834.06; 906.81] | J/mol×K | [886.82; 1107.45] | 
|
| Cp,gas | 834.06 | J/mol×K | 886.82 | Joback Calculated Property |
| Cp,gas | 848.53 | J/mol×K | 923.59 | Joback Calculated Property |
| Cp,gas | 861.97 | J/mol×K | 960.36 | Joback Calculated Property |
| Cp,gas | 874.45 | J/mol×K | 997.13 | Joback Calculated Property |
| Cp,gas | 886.03 | J/mol×K | 1033.90 | Joback Calculated Property |
| Cp,gas | 896.79 | J/mol×K | 1070.68 | Joback Calculated Property |
| Cp,gas | 906.81 | J/mol×K | 1107.45 | Joback Calculated Property |
| η | [0.0000762; 0.0006494] | Pa×s | [522.31; 886.82] |
|
| η | 0.0006494 | Pa×s | 522.31 | Joback Calculated Property |
| η | 0.0003772 | Pa×s | 583.06 | Joback Calculated Property |
| η | 0.0002428 | Pa×s | 643.81 | Joback Calculated Property |
| η | 0.0001686 | Pa×s | 704.56 | Joback Calculated Property |
| η | 0.0001241 | Pa×s | 765.32 | Joback Calculated Property |
| η | 0.0000955 | Pa×s | 826.07 | Joback Calculated Property |
| η | 0.0000762 | Pa×s | 886.82 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 2-ethylbutyl naphth-2-ylmethyl ester.
Sources
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