- InChI
- InChI=1S/C26H48O4/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-22-29-25(27)20-21-26(28)30-23-24(3)19-5-2/h20-21,24H,4-19,22-23H2,1-3H3/b21-20+
- InChI Key
- QPBDGPJSTQEQOR-QZQOTICOSA-N
- Formula
- C26H48O4
- SMILES
-
CCCCCCCCCCCCCCCCOC(=O)C=CC(=O)
OCC(C)CCC - Molecular Weight1
- 424.66
- 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° | -222.02 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -957.63 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 65.35 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.35 | kJ/mol | Joback Calculated Property |
| log10WS | -8.04 | Crippen Calculated Property | |
| logPoct/wat | 7.546 | Crippen Calculated Property | |
| McVol | 387.780 | ml/mol | McGowan Calculated Property |
| Pc | 788.16 | kPa | Joback Calculated Property |
| Inp | [2861.00; 2861.00] |
|
|
| Inp | 2861.00 | NIST | |
| Inp | 2861.00 | NIST | |
| Tboil | 950.58 | K | Joback Calculated Property |
| Tc | 1167.61 | K | Joback Calculated Property |
| Tfus | 507.02 | K | Joback Calculated Property |
| Vc | 1.514 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1317.93; 1420.19] | J/mol×K | [950.58; 1167.61] |
|
| Cp,gas | 1317.93 | J/mol×K | 950.58 | Joback Calculated Property |
| Cp,gas | 1338.52 | J/mol×K | 986.75 | Joback Calculated Property |
| Cp,gas | 1357.62 | J/mol×K | 1022.92 | Joback Calculated Property |
| Cp,gas | 1375.27 | J/mol×K | 1059.10 | Joback Calculated Property |
| Cp,gas | 1391.54 | J/mol×K | 1095.27 | Joback Calculated Property |
| Cp,gas | 1406.49 | J/mol×K | 1131.44 | Joback Calculated Property |
| Cp,gas | 1420.19 | J/mol×K | 1167.61 | Joback Calculated Property |
| η | [0.0000173; 0.0004362] | Pa×s | [507.02; 950.58] |
|
| η | 0.0004362 | Pa×s | 507.02 | Joback Calculated Property |
| η | 0.0001808 | Pa×s | 580.95 | Joback Calculated Property |
| η | 0.0000914 | Pa×s | 654.87 | Joback Calculated Property |
| η | 0.0000531 | Pa×s | 728.80 | Joback Calculated Property |
| η | 0.0000341 | Pa×s | 802.73 | Joback Calculated Property |
| η | 0.0000236 | Pa×s | 876.65 | Joback Calculated Property |
| η | 0.0000173 | Pa×s | 950.58 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, hexadecyl 2-methylpentyl ester.
Sources
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