- InChI
- InChI=1S/C16H28O4/c1-12(2)7-6-10-19-15(17)8-9-16(18)20-14(5)11-13(3)4/h8-9,12-14H,6-7,10-11H2,1-5H3/b9-8+
- InChI Key
- ZKBKQAWZYHAPAR-CMDGGOBGSA-N
- Formula
- C16H28O4
- SMILES
-
CC(C)CCCOC(=O)C=CC(=O)OC(C)CC(
C)C - Molecular Weight1
- 284.39
- 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° | -311.10 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -761.79 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 32.40 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.32 | kJ/mol | Joback Calculated Property |
| log10WS | -3.73 | Crippen Calculated Property | |
| logPoct/wat | 3.500 | Crippen Calculated Property | |
| McVol | 246.880 | ml/mol | McGowan Calculated Property |
| Pc | 1495.35 | kPa | Joback Calculated Property |
| Inp | 1814.00 | NIST | |
| Tboil | 720.90 | K | Joback Calculated Property |
| Tc | 908.21 | K | Joback Calculated Property |
| Tfus | 364.32 | K | Joback Calculated Property |
| Vc | 0.942 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [711.89; 799.03] | J/mol×K | [720.90; 908.21] | 
|
| Cp,gas | 711.89 | J/mol×K | 720.90 | Joback Calculated Property |
| Cp,gas | 728.60 | J/mol×K | 752.12 | Joback Calculated Property |
| Cp,gas | 744.41 | J/mol×K | 783.34 | Joback Calculated Property |
| Cp,gas | 759.34 | J/mol×K | 814.55 | Joback Calculated Property |
| Cp,gas | 773.41 | J/mol×K | 845.77 | Joback Calculated Property |
| Cp,gas | 786.63 | J/mol×K | 876.99 | Joback Calculated Property |
| Cp,gas | 799.03 | J/mol×K | 908.21 | Joback Calculated Property |
| η | [0.0000631; 0.0022829] | Pa×s | [364.32; 720.90] |
|
| η | 0.0022829 | Pa×s | 364.32 | Joback Calculated Property |
| η | 0.0008252 | Pa×s | 423.75 | Joback Calculated Property |
| η | 0.0003832 | Pa×s | 483.18 | Joback Calculated Property |
| η | 0.0002105 | Pa×s | 542.61 | Joback Calculated Property |
| η | 0.0001301 | Pa×s | 602.04 | Joback Calculated Property |
| η | 0.0000877 | Pa×s | 661.47 | Joback Calculated Property |
| η | 0.0000631 | Pa×s | 720.90 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, isohexyl 4-methylpent-2-yl ester.
Sources
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