- InChI
- InChI=1S/C20H36O4/c1-4-7-9-10-11-12-13-17-23-19(21)15-16-20(22)24-18(6-3)14-8-5-2/h15-16,18H,4-14,17H2,1-3H3/b16-15+
- InChI Key
- VFOVRYXCNJSKMH-FOCLMDBBSA-N
- Formula
- C20H36O4
- SMILES
-
CCCCCCCCCOC(=O)C=CC(=O)OC(CC)C
CCC - Molecular Weight1
- 340.50
- 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° | -272.54 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -833.79 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 49.81 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.00 | kJ/mol | Joback Calculated Property |
| log10WS | -5.88 | Crippen Calculated Property | |
| logPoct/wat | 5.348 | Crippen Calculated Property | |
| McVol | 303.240 | ml/mol | McGowan Calculated Property |
| Pc | 1121.55 | kPa | Joback Calculated Property |
| Inp | 2277.00 | NIST | |
| Tboil | 813.30 | K | Joback Calculated Property |
| Tc | 1000.35 | K | Joback Calculated Property |
| Tfus | 439.40 | K | Joback Calculated Property |
| Vc | 1.177 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [944.36; 1036.28] | J/mol×K | [813.30; 1000.35] | 
|
| Cp,gas | 944.36 | J/mol×K | 813.30 | Joback Calculated Property |
| Cp,gas | 962.12 | J/mol×K | 844.48 | Joback Calculated Property |
| Cp,gas | 978.88 | J/mol×K | 875.65 | Joback Calculated Property |
| Cp,gas | 994.65 | J/mol×K | 906.83 | Joback Calculated Property |
| Cp,gas | 1009.45 | J/mol×K | 938.00 | Joback Calculated Property |
| Cp,gas | 1023.32 | J/mol×K | 969.18 | Joback Calculated Property |
| Cp,gas | 1036.28 | J/mol×K | 1000.35 | Joback Calculated Property |
| η | [0.0000425; 0.0009257] | Pa×s | [439.40; 813.30] |
|
| η | 0.0009257 | Pa×s | 439.40 | Joback Calculated Property |
| η | 0.0004027 | Pa×s | 501.72 | Joback Calculated Property |
| η | 0.0002106 | Pa×s | 564.03 | Joback Calculated Property |
| η | 0.0001253 | Pa×s | 626.35 | Joback Calculated Property |
| η | 0.0000819 | Pa×s | 688.67 | Joback Calculated Property |
| η | 0.0000574 | Pa×s | 750.98 | Joback Calculated Property |
| η | 0.0000425 | Pa×s | 813.30 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 3-heptyl nonyl ester.
Sources
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