- InChI
- InChI=1S/C26H46O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-30-25(28)20-21-26(29)31-24(3)23(2)27/h20-21,24H,4-19,22H2,1-3H3/b21-20+
- InChI Key
- LGYJKGMBWGNAES-QZQOTICOSA-N
- Formula
- C26H46O5
- SMILES
-
CCCCCCCCCCCCCCCCCCOC(=O)C=CC(=
O)OC(C)C(C)=O - Molecular Weight1
- 438.64
- 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° | -350.94 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1070.21 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 66.95 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 98.10 | kJ/mol | Joback Calculated Property |
| log10WS | -7.68 | Crippen Calculated Property | |
| logPoct/wat | 6.868 | Crippen Calculated Property | |
| McVol | 389.350 | ml/mol | McGowan Calculated Property |
| Pc | 816.79 | kPa | Joback Calculated Property |
| Inp | [3059.00; 3059.00] |
|
|
| Inp | 3059.00 | NIST | |
| Inp | 3059.00 | NIST | |
| Tboil | 1004.45 | K | Joback Calculated Property |
| Tc | 1237.34 | K | Joback Calculated Property |
| Tfus | 556.95 | K | Joback Calculated Property |
| Vc | 1.520 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1336.99; 1427.49] | J/mol×K | [1004.45; 1237.34] |
|
| Cp,gas | 1336.99 | J/mol×K | 1004.45 | Joback Calculated Property |
| Cp,gas | 1355.95 | J/mol×K | 1043.27 | Joback Calculated Property |
| Cp,gas | 1373.27 | J/mol×K | 1082.08 | Joback Calculated Property |
| Cp,gas | 1389.00 | J/mol×K | 1120.90 | Joback Calculated Property |
| Cp,gas | 1403.24 | J/mol×K | 1159.71 | Joback Calculated Property |
| Cp,gas | 1416.04 | J/mol×K | 1198.53 | Joback Calculated Property |
| Cp,gas | 1427.49 | J/mol×K | 1237.34 | Joback Calculated Property |
| η | [0.0000161; 0.0003241] | Pa×s | [556.95; 1004.45] |
|
| η | 0.0003241 | Pa×s | 556.95 | Joback Calculated Property |
| η | 0.0001462 | Pa×s | 631.53 | Joback Calculated Property |
| η | 0.0000780 | Pa×s | 706.12 | Joback Calculated Property |
| η | 0.0000469 | Pa×s | 780.70 | Joback Calculated Property |
| η | 0.0000308 | Pa×s | 855.28 | Joback Calculated Property |
| η | 0.0000217 | Pa×s | 929.87 | Joback Calculated Property |
| η | 0.0000161 | Pa×s | 1004.45 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, octadecyl 3-oxobut-2-yl ester.
Sources
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