- InChI
- InChI=1S/C21H13Cl3O4/c22-16-10-17(23)21(18(24)11-16)28-20(26)8-7-19(25)27-12-13-5-6-14-3-1-2-4-15(14)9-13/h1-11H,12H2/b8-7+
- InChI Key
- XBXWHVZVHWETCP-BQYQJAHWSA-N
- Formula
- C21H13Cl3O4
- SMILES
-
O=C(C=CC(=O)Oc1c(Cl)cc(Cl)cc1C
l)OCc1ccc2ccccc2c1 - Molecular Weight1
- 435.69
- 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° | -4.52 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -278.12 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 52.06 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 102.60 | kJ/mol | Joback Calculated Property |
| log10WS | -7.73 | Crippen Calculated Property | |
| logPoct/wat | 6.005 | Crippen Calculated Property | |
| McVol | 287.070 | ml/mol | McGowan Calculated Property |
| Pc | 1804.63 | kPa | Joback Calculated Property |
| Inp | 3227.00 | NIST | |
| Tboil | 1041.17 | K | Joback Calculated Property |
| Tc | 1298.66 | K | Joback Calculated Property |
| Tfus | 691.05 | K | Joback Calculated Property |
| Vc | 1.093 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [781.46; 824.62] | J/mol×K | [1041.17; 1298.66] | 
|
| Cp,gas | 781.46 | J/mol×K | 1041.17 | Joback Calculated Property |
| Cp,gas | 790.39 | J/mol×K | 1084.08 | Joback Calculated Property |
| Cp,gas | 798.49 | J/mol×K | 1127.00 | Joback Calculated Property |
| Cp,gas | 805.86 | J/mol×K | 1169.91 | Joback Calculated Property |
| Cp,gas | 812.60 | J/mol×K | 1212.83 | Joback Calculated Property |
| Cp,gas | 818.82 | J/mol×K | 1255.74 | Joback Calculated Property |
| Cp,gas | 824.62 | J/mol×K | 1298.66 | Joback Calculated Property |
| η | [0.0000613; 0.0002744] | Pa×s | [691.05; 1041.17] |
|
| η | 0.0002744 | Pa×s | 691.05 | Joback Calculated Property |
| η | 0.0001940 | Pa×s | 749.40 | Joback Calculated Property |
| η | 0.0001442 | Pa×s | 807.76 | Joback Calculated Property |
| η | 0.0001115 | Pa×s | 866.11 | Joback Calculated Property |
| η | 0.0000891 | Pa×s | 924.46 | Joback Calculated Property |
| η | 0.0000731 | Pa×s | 982.82 | Joback Calculated Property |
| η | 0.0000613 | Pa×s | 1041.17 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 2,4,6-trichlorophenyl naphth-2-ylmethyl ester.
Sources
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