- InChI
- InChI=1S/C23H40O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-27-22(25)17-18-23(26)28-21(3)20(2)24/h17-18,21H,4-16,19H2,1-3H3/b18-17+
- InChI Key
- RFWNPTLLHMDDFR-ISLYRVAYSA-N
- Formula
- C23H40O5
- SMILES
-
CCCCCCCCCCCCCCCOC(=O)C=CC(=O)O
C(C)C(C)=O - Molecular Weight1
- 396.56
- 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 | 1.1138 | Relay (1.0) Calculated Property | |
| ΔfG° | -376.20 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1170.90 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 59.18 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 113.51 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.63 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.09 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.698 | Crippen Calculated Property | |
| McVol | 347.080 | ml/mol | McGowan Calculated Property |
| Pc | 969.88 | kPa | Joback Calculated Property |
| Inp | 2753.00 | NIST | |
| Tboil | 625.60 | K | Relay (1.0) Calculated Property |
| Tc | 817.62 | K | Relay (1.0) Calculated Property |
| Tfus | 341.74 | K | Relay (1.0) Calculated Property |
| Vc | 1.294 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1148.88; 1235.09] | J/mol×K | [935.81; 1145.98] | 
|
| Cp,gas | 1148.88 | J/mol×K | 935.81 | Joback Calculated Property |
| Cp,gas | 1166.37 | J/mol×K | 970.84 | Joback Calculated Property |
| Cp,gas | 1182.55 | J/mol×K | 1005.87 | Joback Calculated Property |
| Cp,gas | 1197.47 | J/mol×K | 1040.89 | Joback Calculated Property |
| Cp,gas | 1211.17 | J/mol×K | 1075.92 | Joback Calculated Property |
| Cp,gas | 1223.70 | J/mol×K | 1110.95 | Joback Calculated Property |
| Cp,gas | 1235.09 | J/mol×K | 1145.98 | Joback Calculated Property |
| η | [0.0000257; 0.0004796] | Pa×s | [523.14; 935.81] |
|
| η | 0.0004796 | Pa×s | 523.14 | Joback Calculated Property |
| η | 0.0002218 | Pa×s | 591.92 | Joback Calculated Property |
| η | 0.0001204 | Pa×s | 660.70 | Joback Calculated Property |
| η | 0.0000733 | Pa×s | 729.48 | Joback Calculated Property |
| η | 0.0000487 | Pa×s | 798.25 | Joback Calculated Property |
| η | 0.0000345 | Pa×s | 867.03 | Joback Calculated Property |
| η | 0.0000257 | Pa×s | 935.81 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 3-oxobut-2-yl pentadecyl ester.
Sources
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