- InChI
- InChI=1S/C27H50O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-30-25(28)21-22-26(29)31-24(2)27(3,4)5/h21-22,24H,6-20,23H2,1-5H3/b22-21+
- InChI Key
- OHGSCHFZBKKXIW-QURGRASLSA-N
- Formula
- C27H50O4
- SMILES
-
CCCCCCCCCCCCCCCCCOC(=O)C=CC(=O
)OC(C)C(C)(C)C - Molecular Weight1
- 438.68
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 1.1673 | Relay (1.0) Calculated Property | |
| ΔfG° | -210.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1136.27 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 60.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 121.13 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.08 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.27 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.935 | Crippen Calculated Property | |
| McVol | 401.870 | ml/mol | McGowan Calculated Property |
| Pc | 755.15 | kPa | Joback Calculated Property |
| Inp | [2951.00; 2951.00] |
|
|
| Inp | 2951.00 | NIST | |
| Inp | 2951.00 | NIST | |
| Tboil | 644.98 | K | Relay (1.0) Calculated Property |
| Tc | 828.50 | K | Relay (1.0) Calculated Property |
| Tfus | 321.25 | K | Relay (1.0) Calculated Property |
| Vc | 1.501 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1381.79; 1486.87] | J/mol×K | [970.23; 1191.32] |
|
| Cp,gas | 1381.79 | J/mol×K | 970.23 | Joback Calculated Property |
| Cp,gas | 1402.63 | J/mol×K | 1007.08 | Joback Calculated Property |
| Cp,gas | 1422.02 | J/mol×K | 1043.93 | Joback Calculated Property |
| Cp,gas | 1440.05 | J/mol×K | 1080.78 | Joback Calculated Property |
| Cp,gas | 1456.81 | J/mol×K | 1117.62 | Joback Calculated Property |
| Cp,gas | 1472.39 | J/mol×K | 1154.47 | Joback Calculated Property |
| Cp,gas | 1486.87 | J/mol×K | 1191.32 | Joback Calculated Property |
| η | [0.0000112; 0.0003432] | Pa×s | [520.71; 970.23] |
|
| η | 0.0003432 | Pa×s | 520.71 | Joback Calculated Property |
| η | 0.0001356 | Pa×s | 595.63 | Joback Calculated Property |
| η | 0.0000659 | Pa×s | 670.55 | Joback Calculated Property |
| η | 0.0000371 | Pa×s | 745.47 | Joback Calculated Property |
| η | 0.0000231 | Pa×s | 820.39 | Joback Calculated Property |
| η | 0.0000156 | Pa×s | 895.31 | Joback Calculated Property |
| η | 0.0000112 | Pa×s | 970.23 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 3,3-dimethylbut-2-yl heptadecyl ester.
Sources
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