- InChI
- InChI=1S/C26H48O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-29-25(27)19-20-26(28)30-24(4)22-23(2)3/h19-20,23-24H,5-18,21-22H2,1-4H3/b20-19+
- InChI Key
- RUVKRQMNXXVTBY-FMQUCBEESA-N
- Formula
- C26H48O4
- SMILES
-
CCCCCCCCCCCCCCCCOC(=O)C=CC(=O)
OC(C)CC(C)C - 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° | -224.46 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -962.91 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 61.83 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.96 | kJ/mol | Joback Calculated Property |
| log10WS | -8.15 | Crippen Calculated Property | |
| logPoct/wat | 7.545 | Crippen Calculated Property | |
| McVol | 387.780 | ml/mol | McGowan Calculated Property |
| Pc | 791.71 | kPa | Joback Calculated Property |
| Inp | [2836.00; 2836.00] |
|
|
| Inp | 2836.00 | NIST | |
| Inp | 2836.00 | NIST | |
| Tboil | 950.14 | K | Joback Calculated Property |
| Tc | 1166.06 | K | Joback Calculated Property |
| Tfus | 492.02 | K | Joback Calculated Property |
| Vc | 1.508 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1318.29; 1419.70] | J/mol×K | [950.14; 1166.06] |
|
| Cp,gas | 1318.29 | J/mol×K | 950.14 | Joback Calculated Property |
| Cp,gas | 1338.75 | J/mol×K | 986.13 | Joback Calculated Property |
| Cp,gas | 1357.70 | J/mol×K | 1022.11 | Joback Calculated Property |
| Cp,gas | 1375.21 | J/mol×K | 1058.10 | Joback Calculated Property |
| Cp,gas | 1391.34 | J/mol×K | 1094.09 | Joback Calculated Property |
| Cp,gas | 1406.15 | J/mol×K | 1130.08 | Joback Calculated Property |
| Cp,gas | 1419.70 | J/mol×K | 1166.06 | Joback Calculated Property |
| η | [0.0000157; 0.0005087] | Pa×s | [492.02; 950.14] |
|
| η | 0.0005087 | Pa×s | 492.02 | Joback Calculated Property |
| η | 0.0001932 | Pa×s | 568.37 | Joback Calculated Property |
| η | 0.0000922 | Pa×s | 644.73 | Joback Calculated Property |
| η | 0.0000515 | Pa×s | 721.08 | Joback Calculated Property |
| η | 0.0000322 | Pa×s | 797.43 | Joback Calculated Property |
| η | 0.0000218 | Pa×s | 873.79 | Joback Calculated Property |
| η | 0.0000157 | Pa×s | 950.14 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, hexadecyl 4-methylpent-2-yl ester.
Sources
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