- InChI
- InChI=1S/C31H58O4/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-28-34-30(32)26-27-31(33)35-29(3)25-23-7-5-2/h26-27,29H,4-25,28H2,1-3H3/b27-26+
- InChI Key
- LBGLXKYEEDVSHX-CYYJNZCTSA-N
- Formula
- C31H58O4
- SMILES
-
CCCCCCCCCCCCCCCCCCCCOC(=O)C=CC
(=O)OC(C)CCCCC - 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° | -179.92 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1060.83 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 78.30 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 102.48 | kJ/mol | Joback Calculated Property |
| log10WS | -10.49 | Crippen Calculated Property | |
| logPoct/wat | 9.639 | Crippen Calculated Property | |
| McVol | 458.230 | ml/mol | McGowan Calculated Property |
| Pc | 612.08 | kPa | Joback Calculated Property |
| Inp | [3401.00; 3401.00] |
|
|
| Inp | 3401.00 | NIST | |
| Inp | 3401.00 | NIST | |
| Tboil | 1064.98 | K | Joback Calculated Property |
| Tc | 1338.92 | K | Joback Calculated Property |
| Tfus | 563.37 | K | Joback Calculated Property |
| Vc | 1.794 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1642.70; 1756.51] | J/mol×K | [1064.98; 1338.92] |
|
| Cp,gas | 1642.70 | J/mol×K | 1064.98 | Joback Calculated Property |
| Cp,gas | 1667.05 | J/mol×K | 1110.64 | Joback Calculated Property |
| Cp,gas | 1689.04 | J/mol×K | 1156.29 | Joback Calculated Property |
| Cp,gas | 1708.83 | J/mol×K | 1201.95 | Joback Calculated Property |
| Cp,gas | 1726.56 | J/mol×K | 1247.61 | Joback Calculated Property |
| Cp,gas | 1742.40 | J/mol×K | 1293.26 | Joback Calculated Property |
| Cp,gas | 1756.51 | J/mol×K | 1338.92 | Joback Calculated Property |
| η | [0.0000078; 0.0002169] | Pa×s | [563.37; 1064.98] |
|
| η | 0.0002169 | Pa×s | 563.37 | Joback Calculated Property |
| η | 0.0000870 | Pa×s | 646.97 | Joback Calculated Property |
| η | 0.0000431 | Pa×s | 730.57 | Joback Calculated Property |
| η | 0.0000246 | Pa×s | 814.17 | Joback Calculated Property |
| η | 0.0000156 | Pa×s | 897.78 | Joback Calculated Property |
| η | 0.0000107 | Pa×s | 981.38 | Joback Calculated Property |
| η | 0.0000078 | Pa×s | 1064.98 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, eicosyl 2-heptyl ester.
Sources
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