- InChI
- InChI=1S/C20H28O6/c1-4-5-6-7-8-9-14-25-19(21)12-13-20(22)26-16-10-11-17(23-2)18(15-16)24-3/h10-13,15H,4-9,14H2,1-3H3/b13-12+
- InChI Key
- CQCGQSYPSYKWFU-OUKQBFOZSA-N
- Formula
- C20H28O6
- SMILES
-
CCCCCCCCOC(=O)C=CC(=O)Oc1ccc(O
C)c(OC)c1 - Molecular Weight1
- 364.43
- 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° | -386.95 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -879.36 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 48.97 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.80 | kJ/mol | Joback Calculated Property |
| log10WS | -4.93 | Crippen Calculated Property | |
| logPoct/wat | 4.069 | Crippen Calculated Property | |
| McVol | 291.220 | ml/mol | McGowan Calculated Property |
| Pc | 1344.71 | kPa | Joback Calculated Property |
| Inp | [2782.00; 2782.00] |
|
|
| Inp | 2782.00 | NIST | |
| Inp | 2782.00 | NIST | |
| Tboil | 895.22 | K | Joback Calculated Property |
| Tc | 1102.88 | K | Joback Calculated Property |
| Tfus | 550.32 | K | Joback Calculated Property |
| Vc | 1.111 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [907.89; 976.15] | J/mol×K | [895.22; 1102.88] |
|
| Cp,gas | 907.89 | J/mol×K | 895.22 | Joback Calculated Property |
| Cp,gas | 922.42 | J/mol×K | 929.83 | Joback Calculated Property |
| Cp,gas | 935.68 | J/mol×K | 964.44 | Joback Calculated Property |
| Cp,gas | 947.69 | J/mol×K | 999.05 | Joback Calculated Property |
| Cp,gas | 958.43 | J/mol×K | 1033.66 | Joback Calculated Property |
| Cp,gas | 967.91 | J/mol×K | 1068.27 | Joback Calculated Property |
| Cp,gas | 976.15 | J/mol×K | 1102.88 | Joback Calculated Property |
| η | [0.0000273; 0.0002359] | Pa×s | [550.32; 895.22] |
|
| η | 0.0002359 | Pa×s | 550.32 | Joback Calculated Property |
| η | 0.0001389 | Pa×s | 607.80 | Joback Calculated Property |
| η | 0.0000896 | Pa×s | 665.29 | Joback Calculated Property |
| η | 0.0000620 | Pa×s | 722.77 | Joback Calculated Property |
| η | 0.0000453 | Pa×s | 780.25 | Joback Calculated Property |
| η | 0.0000345 | Pa×s | 837.74 | Joback Calculated Property |
| η | 0.0000273 | Pa×s | 895.22 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 3,4-dimethoxyphenyl octyl ester.
Sources
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