- InChI
- InChI=1S/C24H42O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-20-27-23(25)18-19-24(26)28-21-16-17-22(2)3/h13-14,18-19,22H,4-12,15-17,20-21H2,1-3H3/b14-13+,19-18+
- InChI Key
- ROQXFWBMOPKROI-CDSOMVEVSA-N
- Formula
- C24H42O4
- SMILES
-
CCCCCCCCCCC=CCCOC(=O)C=CC(=O)O
CCCC(C)C - Molecular Weight1
- 394.59
- 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° | -158.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -799.13 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 60.37 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.86 | kJ/mol | Joback Calculated Property |
| log10WS | -7.06 | Crippen Calculated Property | |
| logPoct/wat | 6.542 | Crippen Calculated Property | |
| McVol | 355.300 | ml/mol | McGowan Calculated Property |
| Pc | 908.34 | kPa | Joback Calculated Property |
| Inp | [2749.00; 2749.00] |
|
|
| Inp | 2749.00 | NIST | |
| Inp | 2749.00 | NIST | |
| Tboil | 908.98 | K | Joback Calculated Property |
| Tc | 1112.85 | K | Joback Calculated Property |
| Tfus | 479.40 | K | Joback Calculated Property |
| Vc | 1.381 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1163.79; 1260.91] | J/mol×K | [908.98; 1112.85] |
|
| Cp,gas | 1163.79 | J/mol×K | 908.98 | Joback Calculated Property |
| Cp,gas | 1182.74 | J/mol×K | 942.96 | Joback Calculated Property |
| Cp,gas | 1200.51 | J/mol×K | 976.94 | Joback Calculated Property |
| Cp,gas | 1217.15 | J/mol×K | 1010.92 | Joback Calculated Property |
| Cp,gas | 1232.73 | J/mol×K | 1044.89 | Joback Calculated Property |
| Cp,gas | 1247.29 | J/mol×K | 1078.87 | Joback Calculated Property |
| Cp,gas | 1260.91 | J/mol×K | 1112.85 | Joback Calculated Property |
| η | [0.0000205; 0.0005301] | Pa×s | [479.40; 908.98] |
|
| η | 0.0005301 | Pa×s | 479.40 | Joback Calculated Property |
| η | 0.0002169 | Pa×s | 551.00 | Joback Calculated Property |
| η | 0.0001090 | Pa×s | 622.59 | Joback Calculated Property |
| η | 0.0000631 | Pa×s | 694.19 | Joback Calculated Property |
| η | 0.0000405 | Pa×s | 765.79 | Joback Calculated Property |
| η | 0.0000280 | Pa×s | 837.38 | Joback Calculated Property |
| η | 0.0000205 | Pa×s | 908.98 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, isohexyl tetradec-3-enyl ester.
Sources
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