- InChI
- InChI=1S/C13H20O4/c1-10(2)7-8-16-12(14)5-6-13(15)17-9-11(3)4/h5-6,11H,1,7-9H2,2-4H3/b6-5+
- InChI Key
- PJWIMMPQOALWST-AATRIKPKSA-N
- Formula
- C13H20O4
- SMILES
- C=C(C)CCOC(=O)C=CC(=O)OCC(C)C
- Molecular Weight1
- 240.30
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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° | -252.19 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -573.67 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 29.09 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.82 | kJ/mol | Joback Calculated Property |
| log10WS | -2.45 | Crippen Calculated Property | |
| logPoct/wat | 2.251 | Crippen Calculated Property | |
| McVol | 200.310 | ml/mol | McGowan Calculated Property |
| Pc | 1945.79 | kPa | Joback Calculated Property |
| Inp | [1607.00; 1607.00] |
|
|
| Inp | 1607.00 | NIST | |
| Inp | 1607.00 | NIST | |
| Tboil | 649.70 | K | Joback Calculated Property |
| Tc | 840.22 | K | Joback Calculated Property |
| Tfus | 344.79 | K | Joback Calculated Property |
| Vc | 0.767 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [524.52; 600.83] | J/mol×K | [649.70; 840.22] |
|
| Cp,gas | 524.52 | J/mol×K | 649.70 | Joback Calculated Property |
| Cp,gas | 539.05 | J/mol×K | 681.45 | Joback Calculated Property |
| Cp,gas | 552.83 | J/mol×K | 713.21 | Joback Calculated Property |
| Cp,gas | 565.88 | J/mol×K | 744.96 | Joback Calculated Property |
| Cp,gas | 578.22 | J/mol×K | 776.71 | Joback Calculated Property |
| Cp,gas | 589.86 | J/mol×K | 808.47 | Joback Calculated Property |
| Cp,gas | 600.83 | J/mol×K | 840.22 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, isobutyl 3-methylbut-3-enyl ester.
Sources
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