- InChI
- InChI=1S/C28H52O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-31-26(29)21-22-27(30)32-28(24(2)3)25(4)5/h21-22,24-25,28H,6-20,23H2,1-5H3/b22-21+
- InChI Key
- OTDFXGNVPWSINA-QURGRASLSA-N
- Formula
- C28H52O4
- SMILES
-
CCCCCCCCCCCCCCCCCOC(=O)C=CC(=O
)OC(C(C)C)C(C)C - Molecular Weight1
- 452.71
- 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 | 1.2049 | Relay (... Calculated Property | |
| ΔfG° | -210.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1141.50 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 63.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 124.04 | kJ/mol | Relay (... Calculated Property |
| IE | 10.01 | eV | Relay (... Calculated Property |
| log10WS | -8.30 | Relay (... Calculated Property | |
| logPoct/wat | 8.181 | Crippen Calculated Property | |
| McVol | 415.960 | ml/mol | McGowan Calculated Property |
| Pc | 715.68 | kPa | Joback Calculated Property |
| Inp | 3026.00 | NIST | |
| Tboil | 657.15 | K | Relay (... Calculated Property |
| Tc | 835.30 | K | Relay (... Calculated Property |
| Tfus | 298.75 | K | Relay (... Calculated Property |
| Vc | 1.541 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1447.33; 1551.32] | J/mol×K | [995.46; 1227.17] | 
|
| Cp,gas | 1447.33 | J/mol×K | 995.46 | Joback Calculated Property |
| Cp,gas | 1468.77 | J/mol×K | 1034.08 | Joback Calculated Property |
| Cp,gas | 1488.46 | J/mol×K | 1072.70 | Joback Calculated Property |
| Cp,gas | 1506.48 | J/mol×K | 1111.32 | Joback Calculated Property |
| Cp,gas | 1522.90 | J/mol×K | 1149.94 | Joback Calculated Property |
| Cp,gas | 1537.82 | J/mol×K | 1188.55 | Joback Calculated Property |
| Cp,gas | 1551.32 | J/mol×K | 1227.17 | Joback Calculated Property |
| η | [0.0000104; 0.0004493] | Pa×s | [499.56; 995.46] |
|
| η | 0.0004493 | Pa×s | 499.56 | Joback Calculated Property |
| η | 0.0001538 | Pa×s | 582.21 | Joback Calculated Property |
| η | 0.0000687 | Pa×s | 664.86 | Joback Calculated Property |
| η | 0.0000367 | Pa×s | 747.51 | Joback Calculated Property |
| η | 0.0000222 | Pa×s | 830.16 | Joback Calculated Property |
| η | 0.0000147 | Pa×s | 912.81 | Joback Calculated Property |
| η | 0.0000104 | Pa×s | 995.46 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 2,4-dimethylpent-3-yl heptadecyl ester.
Sources
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