- InChI
- InChI=1S/C20H36O4/c1-6-7-8-9-10-11-12-15-23-18(21)13-14-19(22)24-20(16(2)3)17(4)5/h13-14,16-17,20H,6-12,15H2,1-5H3/b14-13+
- InChI Key
- OPDQFVGUOWUHDA-BUHFOSPRSA-N
- Formula
- C20H36O4
- SMILES
-
CCCCCCCCCOC(=O)C=CC(=O)OC(C(C)
C)C(C)C - 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° | -277.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -844.35 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 42.76 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.22 | kJ/mol | Joback Calculated Property |
| log10WS | -5.40 | Crippen Calculated Property | |
| logPoct/wat | 5.060 | Crippen Calculated Property | |
| McVol | 303.240 | ml/mol | McGowan Calculated Property |
| Pc | 1133.67 | kPa | Joback Calculated Property |
| Inp | [2217.00; 2217.00] |
|
|
| Inp | 2217.00 | NIST | |
| Inp | 2217.00 | NIST | |
| Tboil | 812.42 | K | Joback Calculated Property |
| Tc | 1001.75 | K | Joback Calculated Property |
| Tfus | 409.40 | K | Joback Calculated Property |
| Vc | 1.165 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [945.33; 1037.91] | J/mol×K | [812.42; 1001.75] |
|
| Cp,gas | 945.33 | J/mol×K | 812.42 | Joback Calculated Property |
| Cp,gas | 963.32 | J/mol×K | 843.98 | Joback Calculated Property |
| Cp,gas | 980.24 | J/mol×K | 875.53 | Joback Calculated Property |
| Cp,gas | 996.14 | J/mol×K | 907.09 | Joback Calculated Property |
| Cp,gas | 1011.03 | J/mol×K | 938.64 | Joback Calculated Property |
| Cp,gas | 1024.94 | J/mol×K | 970.20 | Joback Calculated Property |
| Cp,gas | 1037.91 | J/mol×K | 1001.75 | Joback Calculated Property |
| η | [0.0000358; 0.0013918] | Pa×s | [409.40; 812.42] |
|
| η | 0.0013918 | Pa×s | 409.40 | Joback Calculated Property |
| η | 0.0004921 | Pa×s | 476.57 | Joback Calculated Property |
| η | 0.0002250 | Pa×s | 543.74 | Joback Calculated Property |
| η | 0.0001221 | Pa×s | 610.91 | Joback Calculated Property |
| η | 0.0000749 | Pa×s | 678.08 | Joback Calculated Property |
| η | 0.0000501 | Pa×s | 745.25 | Joback Calculated Property |
| η | 0.0000358 | Pa×s | 812.42 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 2,4-dimethylpent-3-yl nonyl ester.
Sources
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