- InChI
- InChI=1S/C31H58O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26-34-29(32)24-25-30(33)35-31(27(2)3)28(4)5/h24-25,27-28,31H,6-23,26H2,1-5H3/b25-24+
- InChI Key
- BFPSTMGFNSVCDS-OCOZRVBESA-N
- Formula
- C31H58O4
- SMILES
-
CCCCCCCCCCCCCCCCCCCCOC(=O)C=CC
(=O)OC(C(C)C)C(C)C - Molecular Weight1
- 494.79
- 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° | -184.80 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1071.39 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 71.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 101.71 | kJ/mol | Joback Calculated Property |
| log10WS | -10.01 | Crippen Calculated Property | |
| logPoct/wat | 9.351 | Crippen Calculated Property | |
| McVol | 458.230 | ml/mol | McGowan Calculated Property |
| Pc | 616.95 | kPa | Joback Calculated Property |
| Inp | [3334.00; 3334.00] |
|
|
| Inp | 3334.00 | NIST | |
| Inp | 3334.00 | NIST | |
| Tboil | 1064.10 | K | Joback Calculated Property |
| Tc | 1331.02 | K | Joback Calculated Property |
| Tfus | 533.37 | K | Joback Calculated Property |
| Vc | 1.782 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1642.99; 1752.88] | J/mol×K | [1064.10; 1331.02] |
|
| Cp,gas | 1642.99 | J/mol×K | 1064.10 | Joback Calculated Property |
| Cp,gas | 1666.55 | J/mol×K | 1108.59 | Joback Calculated Property |
| Cp,gas | 1687.81 | J/mol×K | 1153.07 | Joback Calculated Property |
| Cp,gas | 1706.94 | J/mol×K | 1197.56 | Joback Calculated Property |
| Cp,gas | 1724.06 | J/mol×K | 1242.05 | Joback Calculated Property |
| Cp,gas | 1739.32 | J/mol×K | 1286.53 | Joback Calculated Property |
| Cp,gas | 1752.88 | J/mol×K | 1331.02 | Joback Calculated Property |
| η | [0.0000064; 0.0002844] | Pa×s | [533.37; 1064.10] |
|
| η | 0.0002844 | Pa×s | 533.37 | Joback Calculated Property |
| η | 0.0000964 | Pa×s | 621.83 | Joback Calculated Property |
| η | 0.0000428 | Pa×s | 710.28 | Joback Calculated Property |
| η | 0.0000227 | Pa×s | 798.73 | Joback Calculated Property |
| η | 0.0000137 | Pa×s | 887.19 | Joback Calculated Property |
| η | 0.0000091 | Pa×s | 975.64 | Joback Calculated Property |
| η | 0.0000064 | Pa×s | 1064.10 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 2,4-dimethylpent-3-yl eicosyl ester.
Sources
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