- InChI
- InChI=1S/C13H20O4/c1-5-6-11(4)17-13(15)8-7-12(14)16-9-10(2)3/h5,7-8,10-11H,1,6,9H2,2-4H3/b8-7+
- InChI Key
- WXNYTZSPSXNNFE-BQYQJAHWSA-N
- Formula
- C13H20O4
- SMILES
- C=CCC(C)OC(=O)C=CC(=O)OCC(C)C
- Molecular Weight1
- 240.30
- 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° | -246.08 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -569.16 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.88 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.36 | kJ/mol | Joback Calculated Property |
| log10WS | -2.57 | Crippen Calculated Property | |
| logPoct/wat | 2.250 | Crippen Calculated Property | |
| McVol | 200.310 | ml/mol | McGowan Calculated Property |
| Pc | 1950.95 | kPa | Joback Calculated Property |
| Inp | 1552.00 | NIST | |
| Tboil | 649.38 | K | Joback Calculated Property |
| Tc | 840.40 | K | Joback Calculated Property |
| Tfus | 343.75 | K | Joback Calculated Property |
| Vc | 0.760 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [525.27; 601.94] | J/mol×K | [649.38; 840.40] | 
|
| Cp,gas | 525.27 | J/mol×K | 649.38 | Joback Calculated Property |
| Cp,gas | 539.89 | J/mol×K | 681.22 | Joback Calculated Property |
| Cp,gas | 553.76 | J/mol×K | 713.05 | Joback Calculated Property |
| Cp,gas | 566.88 | J/mol×K | 744.89 | Joback Calculated Property |
| Cp,gas | 579.27 | J/mol×K | 776.72 | Joback Calculated Property |
| Cp,gas | 590.95 | J/mol×K | 808.56 | Joback Calculated Property |
| Cp,gas | 601.94 | J/mol×K | 840.40 | Joback Calculated Property |
| η | [0.0001050; 0.0023112] | Pa×s | [343.75; 649.38] |
|
| η | 0.0023112 | Pa×s | 343.75 | Joback Calculated Property |
| η | 0.0009902 | Pa×s | 394.69 | Joback Calculated Property |
| η | 0.0005149 | Pa×s | 445.63 | Joback Calculated Property |
| η | 0.0003062 | Pa×s | 496.56 | Joback Calculated Property |
| η | 0.0002006 | Pa×s | 547.50 | Joback Calculated Property |
| η | 0.0001412 | Pa×s | 598.44 | Joback Calculated Property |
| η | 0.0001050 | Pa×s | 649.38 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, isobutyl pent-4-en-2-yl ester.
Sources
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