- InChI
- InChI=1S/C13H20O4/c1-4-6-10-16-12(14)8-9-13(15)17-11(3)7-5-2/h5,8-9,11H,2,4,6-7,10H2,1,3H3/b9-8+
- InChI Key
- AOMRYLNKFIOIRO-CMDGGOBGSA-N
- Formula
- C13H20O4
- SMILES
- C=CCC(C)OC(=O)C=CC(=O)OCCCC
- Molecular Weight1
- 240.30
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -754.23 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 33.56 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.60 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 2.394 | Crippen Calculated Property | |
| McVol | 200.310 | ml/mol | McGowan Calculated Property |
| Pc | 1804.63 | kPa | Joback Calculated Property |
| Inp | 1595.00 | NIST | |
| Tboil | 536.76 | K | Relay (1.0) Calculated Property |
| Tc | 702.81 | K | Relay (1.0) Calculated Property |
| Tfus | 229.12 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [513.87; 591.44] | J/mol×K | [613.88; 797.14] | 
|
| Cp,gas | 513.87 | J/mol×K | 613.88 | Joback Calculated Property |
| Cp,gas | 528.72 | J/mol×K | 644.42 | Joback Calculated Property |
| Cp,gas | 542.78 | J/mol×K | 674.97 | Joback Calculated Property |
| Cp,gas | 556.07 | J/mol×K | 705.51 | Joback Calculated Property |
| Cp,gas | 568.60 | J/mol×K | 736.05 | Joback Calculated Property |
| Cp,gas | 580.38 | J/mol×K | 766.59 | Joback Calculated Property |
| Cp,gas | 591.44 | J/mol×K | 797.14 | Joback Calculated Property |
| η | [0.0000935; 0.0045243] | Pa×s | [299.09; 613.88] |
|
| η | 0.0045243 | Pa×s | 299.09 | Joback Calculated Property |
| η | 0.0014628 | Pa×s | 351.55 | Joback Calculated Property |
| η | 0.0006341 | Pa×s | 404.02 | Joback Calculated Property |
| η | 0.0003331 | Pa×s | 456.48 | Joback Calculated Property |
| η | 0.0001998 | Pa×s | 508.95 | Joback Calculated Property |
| η | 0.0001319 | Pa×s | 561.41 | Joback Calculated Property |
| η | 0.0000935 | Pa×s | 613.88 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, butyl pent-4-en-2-yl ester.
Sources
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