- 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).
- 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° | -243.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -563.88 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 30.40 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.74 | kJ/mol | Joback Calculated Property |
| log10WS | -2.81 | Crippen Calculated Property | |
| logPoct/wat | 2.394 | Crippen Calculated Property | |
| McVol | 200.310 | ml/mol | McGowan Calculated Property |
| Pc | 1937.24 | kPa | Joback Calculated Property |
| Inp | 1595.00 | NIST | |
| Tboil | 649.82 | K | Joback Calculated Property |
| Tc | 837.70 | K | Joback Calculated Property |
| Tfus | 358.75 | K | Joback Calculated Property |
| Vc | 0.766 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [524.80; 600.30] | J/mol×K | [649.82; 837.70] | 
|
| Cp,gas | 524.80 | J/mol×K | 649.82 | Joback Calculated Property |
| Cp,gas | 539.15 | J/mol×K | 681.13 | Joback Calculated Property |
| Cp,gas | 552.77 | J/mol×K | 712.45 | Joback Calculated Property |
| Cp,gas | 565.68 | J/mol×K | 743.76 | Joback Calculated Property |
| Cp,gas | 577.90 | J/mol×K | 775.07 | Joback Calculated Property |
| Cp,gas | 589.43 | J/mol×K | 806.39 | Joback Calculated Property |
| Cp,gas | 600.30 | J/mol×K | 837.70 | Joback Calculated Property |
| η | [0.0001130; 0.0018071] | Pa×s | [358.75; 649.82] |
|
| η | 0.0018071 | Pa×s | 358.75 | Joback Calculated Property |
| η | 0.0008647 | Pa×s | 407.26 | Joback Calculated Property |
| η | 0.0004841 | Pa×s | 455.77 | Joback Calculated Property |
| η | 0.0003030 | Pa×s | 504.28 | Joback Calculated Property |
| η | 0.0002059 | Pa×s | 552.80 | Joback Calculated Property |
| η | 0.0001489 | Pa×s | 601.31 | Joback Calculated Property |
| η | 0.0001130 | Pa×s | 649.82 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, butyl pent-4-en-2-yl ester.
Sources
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