- InChI
- InChI=1S/C16H28O4/c1-12(2)8-7-11-19-14(17)9-10-15(18)20-13(3)16(4,5)6/h9-10,12-13H,7-8,11H2,1-6H3/b10-9+
- InChI Key
- ZSHFSZYYZVMBRZ-MDZDMXLPSA-N
- Formula
- C16H28O4
- SMILES
-
CC(C)CCCOC(=O)C=CC(=O)OC(C)C(C
)(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° | -305.82 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -765.26 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.51 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.41 | 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 | 1508.15 | kPa | Joback Calculated Property |
| Inp | [1796.00; 1796.00] |
|
|
| Inp | 1796.00 | NIST | |
| Inp | 1796.00 | NIST | |
| Tboil | 718.11 | K | Joback Calculated Property |
| Tc | 909.98 | K | Joback Calculated Property |
| Tfus | 381.74 | K | Joback Calculated Property |
| Vc | 0.936 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [713.55; 800.98] | J/mol×K | [718.11; 909.98] |
|
| Cp,gas | 713.55 | J/mol×K | 718.11 | Joback Calculated Property |
| Cp,gas | 730.40 | J/mol×K | 750.09 | Joback Calculated Property |
| Cp,gas | 746.29 | J/mol×K | 782.07 | Joback Calculated Property |
| Cp,gas | 761.26 | J/mol×K | 814.04 | Joback Calculated Property |
| Cp,gas | 775.35 | J/mol×K | 846.02 | Joback Calculated Property |
| Cp,gas | 788.58 | J/mol×K | 878.00 | Joback Calculated Property |
| Cp,gas | 800.98 | J/mol×K | 909.98 | Joback Calculated Property |
| η | [0.0000569; 0.0018690] | Pa×s | [381.74; 718.11] |
|
| η | 0.0018690 | Pa×s | 381.74 | Joback Calculated Property |
| η | 0.0007195 | Pa×s | 437.80 | Joback Calculated Property |
| η | 0.0003440 | Pa×s | 493.86 | Joback Calculated Property |
| η | 0.0001912 | Pa×s | 549.92 | Joback Calculated Property |
| η | 0.0001184 | Pa×s | 605.99 | Joback Calculated Property |
| η | 0.0000796 | Pa×s | 662.05 | Joback Calculated Property |
| η | 0.0000569 | Pa×s | 718.11 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 3,3-dimethylbut-2-yl isohexyl ester.
Sources
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