- InChI
- InChI=1S/C25H35Cl3O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-31-23(29)15-16-24(30)32-25-21(27)18-20(26)19-22(25)28/h15-16,18-19H,2-14,17H2,1H3/b16-15+
- InChI Key
- YGMVWIAHCKPRDU-FOCLMDBBSA-N
- Formula
- C25H35Cl3O4
- SMILES
-
CCCCCCCCCCCCCCCOC(=O)C=CC(=O)O
c1c(Cl)cc(Cl)cc1Cl - Molecular Weight1
- 505.90
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -903.50 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 74.91 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 138.23 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 8.743 | Crippen Calculated Property | |
| McVol | 386.650 | ml/mol | McGowan Calculated Property |
| Inp | 3436.00 | NIST | |
| Tboil | 665.71 | K | Relay (1.0) Calculated Property |
| Tfus | 328.98 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1209.24; 1266.89] | J/mol×K | [1046.11; 1281.58] | 
|
| Cp,gas | 1209.24 | J/mol×K | 1046.11 | Joback Calculated Property |
| Cp,gas | 1222.30 | J/mol×K | 1085.36 | Joback Calculated Property |
| Cp,gas | 1233.89 | J/mol×K | 1124.60 | Joback Calculated Property |
| Cp,gas | 1244.07 | J/mol×K | 1163.85 | Joback Calculated Property |
| Cp,gas | 1252.92 | J/mol×K | 1203.09 | Joback Calculated Property |
| Cp,gas | 1260.50 | J/mol×K | 1242.34 | Joback Calculated Property |
| Cp,gas | 1266.89 | J/mol×K | 1281.58 | Joback Calculated Property |
| η | [0.0000107; 0.0001524] | Pa×s | [604.83; 1046.11] |
|
| η | 0.0001524 | Pa×s | 604.83 | Joback Calculated Property |
| η | 0.0000769 | Pa×s | 678.38 | Joback Calculated Property |
| η | 0.0000444 | Pa×s | 751.92 | Joback Calculated Property |
| η | 0.0000282 | Pa×s | 825.47 | Joback Calculated Property |
| η | 0.0000194 | Pa×s | 899.02 | Joback Calculated Property |
| η | 0.0000140 | Pa×s | 972.56 | Joback Calculated Property |
| η | 0.0000107 | Pa×s | 1046.11 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, pentadecyl 2,4,6-trichlorophenyl ester.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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