- InChI
- InChI=1S/C27H50O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-30-25(28)20-21-26(29)31-27(23(2)3)24(4)5/h20-21,23-24,27H,6-19,22H2,1-5H3/b21-20+
- InChI Key
- XWMIVKGQPOVIOP-QZQOTICOSA-N
- Formula
- C27H50O4
- SMILES
-
CCCCCCCCCCCCCCCCOC(=O)C=CC(=O)
OC(C(C)C)C(C)C - 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° | -218.48 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -988.83 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 60.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 92.80 | kJ/mol | Joback Calculated Property |
| log10WS | -8.33 | Crippen Calculated Property | |
| logPoct/wat | 7.791 | Crippen Calculated Property | |
| McVol | 401.870 | ml/mol | McGowan Calculated Property |
| Pc | 753.91 | kPa | Joback Calculated Property |
| Inp | [2936.00; 2936.00] |
|
|
| Inp | 2936.00 | NIST | |
| Inp | 2936.00 | NIST | |
| Tboil | 972.58 | K | Joback Calculated Property |
| Tc | 1195.32 | K | Joback Calculated Property |
| Tfus | 488.29 | K | Joback Calculated Property |
| Vc | 1.558 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1382.79; 1485.05] | J/mol×K | [972.58; 1195.32] |
|
| Cp,gas | 1382.79 | J/mol×K | 972.58 | Joback Calculated Property |
| Cp,gas | 1403.65 | J/mol×K | 1009.70 | Joback Calculated Property |
| Cp,gas | 1422.88 | J/mol×K | 1046.83 | Joback Calculated Property |
| Cp,gas | 1440.57 | J/mol×K | 1083.95 | Joback Calculated Property |
| Cp,gas | 1456.78 | J/mol×K | 1121.07 | Joback Calculated Property |
| Cp,gas | 1471.58 | J/mol×K | 1158.19 | Joback Calculated Property |
| Cp,gas | 1485.05 | J/mol×K | 1195.32 | Joback Calculated Property |
| η | [0.0000122; 0.0005216] | Pa×s | [488.29; 972.58] |
|
| η | 0.0005216 | Pa×s | 488.29 | Joback Calculated Property |
| η | 0.0001791 | Pa×s | 569.00 | Joback Calculated Property |
| η | 0.0000802 | Pa×s | 649.72 | Joback Calculated Property |
| η | 0.0000429 | Pa×s | 730.43 | Joback Calculated Property |
| η | 0.0000260 | Pa×s | 811.15 | Joback Calculated Property |
| η | 0.0000172 | Pa×s | 891.87 | Joback Calculated Property |
| η | 0.0000122 | Pa×s | 972.58 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 2,4-dimethylpent-3-yl hexadecyl ester.
Sources
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