- InChI
- InChI=1S/C28H52O4/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-31-27(29)22-23-28(30)32-25-26(3)21-5-2/h22-23,26H,4-21,24-25H2,1-3H3/b23-22+
- InChI Key
- FKMJQVFLBWIQFB-GHVJWSGMSA-N
- Formula
- C28H52O4
- SMILES
-
CCCCCCCCCCCCCCCCCCOC(=O)C=CC(=
O)OCC(C)CCC - Molecular Weight1
- 452.71
- 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° | -205.18 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -998.91 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 70.53 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 95.80 | kJ/mol | Joback Calculated Property |
| log10WS | -8.88 | Crippen Calculated Property | |
| logPoct/wat | 8.327 | Crippen Calculated Property | |
| McVol | 415.960 | ml/mol | McGowan Calculated Property |
| Pc | 709.60 | kPa | Joback Calculated Property |
| Inp | [3077.00; 3077.00] |
|
|
| Inp | 3077.00 | NIST | |
| Inp | 3077.00 | NIST | |
| Tboil | 996.34 | K | Joback Calculated Property |
| Tc | 1231.91 | K | Joback Calculated Property |
| Tfus | 529.56 | K | Joback Calculated Property |
| Vc | 1.625 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1446.75; 1553.25] | J/mol×K | [996.34; 1231.91] |
|
| Cp,gas | 1446.75 | J/mol×K | 996.34 | Joback Calculated Property |
| Cp,gas | 1468.66 | J/mol×K | 1035.60 | Joback Calculated Property |
| Cp,gas | 1488.79 | J/mol×K | 1074.86 | Joback Calculated Property |
| Cp,gas | 1507.22 | J/mol×K | 1114.12 | Joback Calculated Property |
| Cp,gas | 1524.05 | J/mol×K | 1153.39 | Joback Calculated Property |
| Cp,gas | 1539.36 | J/mol×K | 1192.65 | Joback Calculated Property |
| Cp,gas | 1553.25 | J/mol×K | 1231.91 | Joback Calculated Property |
| η | [0.0000126; 0.0003320] | Pa×s | [529.56; 996.34] |
|
| η | 0.0003320 | Pa×s | 529.56 | Joback Calculated Property |
| η | 0.0001357 | Pa×s | 607.36 | Joback Calculated Property |
| η | 0.0000680 | Pa×s | 685.15 | Joback Calculated Property |
| η | 0.0000392 | Pa×s | 762.95 | Joback Calculated Property |
| η | 0.0000250 | Pa×s | 840.75 | Joback Calculated Property |
| η | 0.0000173 | Pa×s | 918.54 | Joback Calculated Property |
| η | 0.0000126 | Pa×s | 996.34 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 2-methylpentyl octadecyl ester.
Sources
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