- InChI
- InChI=1S/C11H15Cl3O4/c1-2-3-4-7-17-9(15)5-6-10(16)18-8-11(12,13)14/h5-6H,2-4,7-8H2,1H3/b6-5+
- InChI Key
- CPZRBRIYEOEULK-AATRIKPKSA-N
- Formula
- C11H15Cl3O4
- SMILES
-
CCCCCOC(=O)C=CC(=O)OCC(Cl)(Cl)
Cl - Molecular Weight1
- 317.59
- 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° | -378.83 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -698.72 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 35.20 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.21 | kJ/mol | Joback Calculated Property |
| log10WS | -3.57 | Crippen Calculated Property | |
| logPoct/wat | 3.189 | Crippen Calculated Property | |
| McVol | 213.150 | ml/mol | McGowan Calculated Property |
| Pc | 2025.41 | kPa | Joback Calculated Property |
| Inp | [1865.00; 1865.00] |
|
|
| Inp | 1865.00 | NIST | |
| Inp | 1865.00 | NIST | |
| Tboil | 716.88 | K | Joback Calculated Property |
| Tc | 923.00 | K | Joback Calculated Property |
| Tfus | 445.15 | K | Joback Calculated Property |
| Vc | 0.816 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [525.05; 582.08] | J/mol×K | [716.88; 923.00] |
|
| Cp,gas | 525.05 | J/mol×K | 716.88 | Joback Calculated Property |
| Cp,gas | 536.34 | J/mol×K | 751.23 | Joback Calculated Property |
| Cp,gas | 546.86 | J/mol×K | 785.59 | Joback Calculated Property |
| Cp,gas | 556.67 | J/mol×K | 819.94 | Joback Calculated Property |
| Cp,gas | 565.78 | J/mol×K | 854.29 | Joback Calculated Property |
| Cp,gas | 574.24 | J/mol×K | 888.65 | Joback Calculated Property |
| Cp,gas | 582.08 | J/mol×K | 923.00 | Joback Calculated Property |
| η | [0.0000895; 0.0009820] | Pa×s | [445.15; 716.88] |
|
| η | 0.0009820 | Pa×s | 445.15 | Joback Calculated Property |
| η | 0.0005478 | Pa×s | 490.44 | Joback Calculated Property |
| η | 0.0003373 | Pa×s | 535.73 | Joback Calculated Property |
| η | 0.0002240 | Pa×s | 581.01 | Joback Calculated Property |
| η | 0.0001578 | Pa×s | 626.30 | Joback Calculated Property |
| η | 0.0001166 | Pa×s | 671.59 | Joback Calculated Property |
| η | 0.0000895 | Pa×s | 716.88 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, pentyl 2,2,2-trichloroethyl ester.
Sources
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