- InChI
- InChI=1S/C28H52O4/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-31-27(29)22-23-28(30)32-26(6-2)25(3)4/h22-23,25-26H,5-21,24H2,1-4H3/b23-22+
- InChI Key
- NPLHVCCTMWOIOI-GHVJWSGMSA-N
- Formula
- C28H52O4
- SMILES
-
CCCCCCCCCCCCCCCCCCOC(=O)C=CC(=
O)OC(CC)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 | 1.2333 | Relay (1.0) Calculated Property | |
| ΔfG° | -207.62 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1150.90 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 67.01 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 127.59 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.01 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.34 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.325 | Crippen Calculated Property | |
| McVol | 415.960 | ml/mol | McGowan Calculated Property |
| Pc | 712.63 | kPa | Joback Calculated Property |
| Inp | [3073.00; 3073.00] |
|
|
| Inp | 3073.00 | NIST | |
| Inp | 3073.00 | NIST | |
| Tboil | 659.70 | K | Relay (1.0) Calculated Property |
| Tc | 836.51 | K | Relay (1.0) Calculated Property |
| Tfus | 302.40 | K | Relay (1.0) Calculated Property |
| Vc | 1.555 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1447.04; 1552.25] | J/mol×K | [995.90; 1229.46] |
|
| Cp,gas | 1447.04 | J/mol×K | 995.90 | Joback Calculated Property |
| Cp,gas | 1468.71 | J/mol×K | 1034.83 | Joback Calculated Property |
| Cp,gas | 1488.61 | J/mol×K | 1073.75 | Joback Calculated Property |
| Cp,gas | 1506.83 | J/mol×K | 1112.68 | Joback Calculated Property |
| Cp,gas | 1523.45 | J/mol×K | 1151.60 | Joback Calculated Property |
| Cp,gas | 1538.56 | J/mol×K | 1190.53 | Joback Calculated Property |
| Cp,gas | 1552.25 | J/mol×K | 1229.46 | Joback Calculated Property |
| η | [0.0000115; 0.0003830] | Pa×s | [514.56; 995.90] |
|
| η | 0.0003830 | Pa×s | 514.56 | Joback Calculated Property |
| η | 0.0001439 | Pa×s | 594.78 | Joback Calculated Property |
| η | 0.0000682 | Pa×s | 675.01 | Joback Calculated Property |
| η | 0.0000379 | Pa×s | 755.23 | Joback Calculated Property |
| η | 0.0000236 | Pa×s | 835.45 | Joback Calculated Property |
| η | 0.0000159 | Pa×s | 915.68 | Joback Calculated Property |
| η | 0.0000115 | Pa×s | 995.90 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 2-methylpent-3-yl octadecyl ester.
Sources
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