- InChI
- InChI=1S/C25H44O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-29-24(27)19-20-25(28)30-23(3)22(2)26/h19-20,23H,4-18,21H2,1-3H3/b20-19+
- InChI Key
- VQJZWNXAZIXVHO-FMQUCBEESA-N
- Formula
- C25H44O5
- SMILES
-
CCCCCCCCCCCCCCCCCOC(=O)C=CC(=O
)OC(C)C(C)=O - Molecular Weight1
- 424.61
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -359.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1049.57 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 64.36 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 95.87 | kJ/mol | Joback Calculated Property |
| log10WS | -7.26 | Crippen Calculated Property | |
| logPoct/wat | 6.478 | Crippen Calculated Property | |
| McVol | 375.260 | ml/mol | McGowan Calculated Property |
| Pc | 863.53 | kPa | Joback Calculated Property |
| Inp | 2951.00 | NIST | |
| Tboil | 981.57 | K | Joback Calculated Property |
| Tc | 1205.71 | K | Joback Calculated Property |
| Tfus | 545.68 | K | Joback Calculated Property |
| Vc | 1.464 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1273.83; 1362.85] | J/mol×K | [981.57; 1205.71] | 
|
| Cp,gas | 1273.83 | J/mol×K | 981.57 | Joback Calculated Property |
| Cp,gas | 1292.26 | J/mol×K | 1018.93 | Joback Calculated Property |
| Cp,gas | 1309.17 | J/mol×K | 1056.28 | Joback Calculated Property |
| Cp,gas | 1324.63 | J/mol×K | 1093.64 | Joback Calculated Property |
| Cp,gas | 1338.68 | J/mol×K | 1131.00 | Joback Calculated Property |
| Cp,gas | 1351.40 | J/mol×K | 1168.35 | Joback Calculated Property |
| Cp,gas | 1362.85 | J/mol×K | 1205.71 | Joback Calculated Property |
| η | [0.0000188; 0.0003703] | Pa×s | [545.68; 981.57] |
|
| η | 0.0003703 | Pa×s | 545.68 | Joback Calculated Property |
| η | 0.0001683 | Pa×s | 618.33 | Joback Calculated Property |
| η | 0.0000903 | Pa×s | 690.98 | Joback Calculated Property |
| η | 0.0000546 | Pa×s | 763.62 | Joback Calculated Property |
| η | 0.0000360 | Pa×s | 836.27 | Joback Calculated Property |
| η | 0.0000254 | Pa×s | 908.92 | Joback Calculated Property |
| η | 0.0000188 | Pa×s | 981.57 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, heptadecyl 3-oxobut-2-yl ester.
Sources
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