- InChI
- InChI=1S/C27H50O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-30-26(28)22-23-27(29)31-25(6-3)21-5-2/h22-23,25H,4-21,24H2,1-3H3/b23-22+
- InChI Key
- OZMLZUDUAQCTTE-GHVJWSGMSA-N
- Formula
- C27H50O4
- SMILES
-
CCCCCCCCCCCCCCCCCOC(=O)C=CC(=O
)OC(CC)CCC - Molecular Weight1
- 438.68
- 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° | -213.60 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -978.27 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 67.94 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 93.58 | kJ/mol | Joback Calculated Property |
| log10WS | -8.82 | Crippen Calculated Property | |
| logPoct/wat | 8.079 | Crippen Calculated Property | |
| McVol | 401.870 | ml/mol | McGowan Calculated Property |
| Pc | 747.33 | kPa | Joback Calculated Property |
| Inp | 2990.00 | NIST | |
| Tboil | 973.46 | K | Joback Calculated Property |
| Tc | 1199.13 | K | Joback Calculated Property |
| Tfus | 518.29 | K | Joback Calculated Property |
| Vc | 1.569 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1382.13; 1486.45] | J/mol×K | [973.46; 1199.13] | 
|
| Cp,gas | 1382.13 | J/mol×K | 973.46 | Joback Calculated Property |
| Cp,gas | 1403.35 | J/mol×K | 1011.07 | Joback Calculated Property |
| Cp,gas | 1422.94 | J/mol×K | 1048.68 | Joback Calculated Property |
| Cp,gas | 1440.98 | J/mol×K | 1086.29 | Joback Calculated Property |
| Cp,gas | 1457.52 | J/mol×K | 1123.90 | Joback Calculated Property |
| Cp,gas | 1472.65 | J/mol×K | 1161.52 | Joback Calculated Property |
| Cp,gas | 1486.45 | J/mol×K | 1199.13 | Joback Calculated Property |
| η | [0.0000148; 0.0003810] | Pa×s | [518.29; 973.46] |
|
| η | 0.0003810 | Pa×s | 518.29 | Joback Calculated Property |
| η | 0.0001568 | Pa×s | 594.15 | Joback Calculated Property |
| η | 0.0000789 | Pa×s | 670.01 | Joback Calculated Property |
| η | 0.0000457 | Pa×s | 745.88 | Joback Calculated Property |
| η | 0.0000292 | Pa×s | 821.74 | Joback Calculated Property |
| η | 0.0000202 | Pa×s | 897.60 | Joback Calculated Property |
| η | 0.0000148 | Pa×s | 973.46 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, heptadecyl 3-hexyl ester.
Sources
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