- InChI
- InChI=1S/C14H22O4/c1-4-5-6-7-10-17-13(15)8-9-14(16)18-11-12(2)3/h5-6,8-9,12H,4,7,10-11H2,1-3H3/b6-5+,9-8+
- InChI Key
- FUNUUOONRYZMBG-HHWLVVFRSA-N
- Formula
- C14H22O4
- SMILES
- CCC=CCCOC(=O)C=CC(=O)OCC(C)C
- Molecular Weight1
- 254.32
- 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° | -242.84 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -592.73 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 34.47 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.60 | kJ/mol | Joback Calculated Property |
| log10WS | -2.87 | Crippen Calculated Property | |
| logPoct/wat | 2.641 | Crippen Calculated Property | |
| McVol | 214.400 | ml/mol | McGowan Calculated Property |
| Pc | 1798.51 | kPa | Joback Calculated Property |
| Inp | [1731.00; 1731.00] |
|
|
| Inp | 1731.00 | NIST | |
| Inp | 1731.00 | NIST | |
| Tboil | 680.18 | K | Joback Calculated Property |
| Tc | 869.98 | K | Joback Calculated Property |
| Tfus | 366.70 | K | Joback Calculated Property |
| Vc | 0.822 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [578.30; 656.50] | J/mol×K | [680.18; 869.98] |
|
| Cp,gas | 578.30 | J/mol×K | 680.18 | Joback Calculated Property |
| Cp,gas | 593.20 | J/mol×K | 711.81 | Joback Calculated Property |
| Cp,gas | 607.33 | J/mol×K | 743.45 | Joback Calculated Property |
| Cp,gas | 620.69 | J/mol×K | 775.08 | Joback Calculated Property |
| Cp,gas | 633.33 | J/mol×K | 806.71 | Joback Calculated Property |
| Cp,gas | 645.26 | J/mol×K | 838.34 | Joback Calculated Property |
| Cp,gas | 656.50 | J/mol×K | 869.98 | Joback Calculated Property |
| η | [0.0000822; 0.0015872] | Pa×s | [366.70; 680.18] |
|
| η | 0.0015872 | Pa×s | 366.70 | Joback Calculated Property |
| η | 0.0007124 | Pa×s | 418.95 | Joback Calculated Property |
| η | 0.0003819 | Pa×s | 471.19 | Joback Calculated Property |
| η | 0.0002319 | Pa×s | 523.44 | Joback Calculated Property |
| η | 0.0001541 | Pa×s | 575.69 | Joback Calculated Property |
| η | 0.0001097 | Pa×s | 627.93 | Joback Calculated Property |
| η | 0.0000822 | Pa×s | 680.18 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, isobutyl trans-hex-3-enyl ester.
Sources
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