- InChI
- InChI=1S/C23H40O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-19-26-22(24)16-17-23(25)27-20-18-21(2)3/h16-17H,2,4-15,18-20H2,1,3H3/b17-16+
- InChI Key
- FIFVNNFPYNBJNY-WUKNDPDISA-N
- Formula
- C23H40O4
- SMILES
-
C=C(C)CCOC(=O)C=CC(=O)OCCCCCCC
CCCCCCC - Molecular Weight1
- 380.56
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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° | -165.55 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -774.79 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 58.51 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.47 | kJ/mol | Joback Calculated Property |
| log10WS | -6.88 | Crippen Calculated Property | |
| logPoct/wat | 6.296 | Crippen Calculated Property | |
| McVol | 341.210 | ml/mol | McGowan Calculated Property |
| Pc | 955.55 | kPa | Joback Calculated Property |
| Inp | 2666.00 | NIST | |
| Tboil | 878.94 | K | Joback Calculated Property |
| Tc | 1076.27 | K | Joback Calculated Property |
| Tfus | 472.49 | K | Joback Calculated Property |
| Vc | 1.333 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1099.03; 1193.76] | J/mol×K | [878.94; 1076.27] | 
|
| Cp,gas | 1099.03 | J/mol×K | 878.94 | Joback Calculated Property |
| Cp,gas | 1117.52 | J/mol×K | 911.83 | Joback Calculated Property |
| Cp,gas | 1134.87 | J/mol×K | 944.72 | Joback Calculated Property |
| Cp,gas | 1151.13 | J/mol×K | 977.61 | Joback Calculated Property |
| Cp,gas | 1166.33 | J/mol×K | 1010.49 | Joback Calculated Property |
| Cp,gas | 1180.53 | J/mol×K | 1043.38 | Joback Calculated Property |
| Cp,gas | 1193.76 | J/mol×K | 1076.27 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 3-methylbut-3-enyl tetradecyl ester.
Sources
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