- InChI
- InChI=1S/C28H50O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-32-27(30)22-23-28(31)33-26(3)25(2)29/h22-23,26H,4-21,24H2,1-3H3/b23-22+
- InChI Key
- BWTNKSKSUHLXIP-GHVJWSGMSA-N
- Formula
- C28H50O5
- SMILES
-
CCCCCCCCCCCCCCCCCCCCOC(=O)C=CC
(=O)OC(C)C(C)=O - Molecular Weight1
- 466.69
- 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 | 1.2891 | Relay (1.0) Calculated Property | |
| ΔfG° | -334.10 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1272.03 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 72.13 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 133.13 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.79 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.60 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.648 | Crippen Calculated Property | |
| McVol | 417.530 | ml/mol | McGowan Calculated Property |
| Pc | 734.03 | kPa | Joback Calculated Property |
| Inp | 3264.00 | NIST | |
| Tboil | 659.23 | K | Relay (1.0) Calculated Property |
| Tc | 852.21 | K | Relay (1.0) Calculated Property |
| Tfus | 350.59 | K | Relay (1.0) Calculated Property |
| Vc | 1.568 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1464.46; 1558.06] | J/mol×K | [1050.21; 1304.62] | 
|
| Cp,gas | 1464.46 | J/mol×K | 1050.21 | Joback Calculated Property |
| Cp,gas | 1484.62 | J/mol×K | 1092.61 | Joback Calculated Property |
| Cp,gas | 1502.82 | J/mol×K | 1135.01 | Joback Calculated Property |
| Cp,gas | 1519.16 | J/mol×K | 1177.42 | Joback Calculated Property |
| Cp,gas | 1533.74 | J/mol×K | 1219.82 | Joback Calculated Property |
| Cp,gas | 1546.67 | J/mol×K | 1262.22 | Joback Calculated Property |
| Cp,gas | 1558.06 | J/mol×K | 1304.62 | Joback Calculated Property |
| η | [0.0000117; 0.0002466] | Pa×s | [579.49; 1050.21] |
|
| η | 0.0002466 | Pa×s | 579.49 | Joback Calculated Property |
| η | 0.0001095 | Pa×s | 657.94 | Joback Calculated Property |
| η | 0.0000578 | Pa×s | 736.40 | Joback Calculated Property |
| η | 0.0000345 | Pa×s | 814.85 | Joback Calculated Property |
| η | 0.0000226 | Pa×s | 893.30 | Joback Calculated Property |
| η | 0.0000158 | Pa×s | 971.76 | Joback Calculated Property |
| η | 0.0000117 | Pa×s | 1050.21 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, eicosyl 3-oxobut-2-yl ester.
Sources
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