- InChI
- InChI=1S/C20H11Cl3O4/c21-14-10-16(22)20(17(23)11-14)27-19(25)8-7-18(24)26-15-6-5-12-3-1-2-4-13(12)9-15/h1-11H/b8-7+
- InChI Key
- BYYLOIXMTNKTQP-BQYQJAHWSA-N
- Formula
- C20H11Cl3O4
- SMILES
-
O=C(C=CC(=O)Oc1c(Cl)cc(Cl)cc1C
l)Oc1ccc2ccccc2c1 - Molecular Weight1
- 421.66
- 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° | -12.94 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -257.48 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 49.47 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 100.38 | kJ/mol | Joback Calculated Property |
| log10WS | -7.46 | Crippen Calculated Property | |
| logPoct/wat | 5.867 | Crippen Calculated Property | |
| McVol | 272.980 | ml/mol | McGowan Calculated Property |
| Pc | 1961.34 | kPa | Joback Calculated Property |
| Inp | [3156.00; 3156.00] |
|
|
| Inp | 3156.00 | NIST | |
| Inp | 3156.00 | NIST | |
| Tboil | 1018.29 | K | Joback Calculated Property |
| Tc | 1278.09 | K | Joback Calculated Property |
| Tfus | 679.78 | K | Joback Calculated Property |
| Vc | 1.036 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [724.34; 765.39] | J/mol×K | [1018.29; 1278.09] |
|
| Cp,gas | 724.34 | J/mol×K | 1018.29 | Joback Calculated Property |
| Cp,gas | 732.95 | J/mol×K | 1061.59 | Joback Calculated Property |
| Cp,gas | 740.72 | J/mol×K | 1104.89 | Joback Calculated Property |
| Cp,gas | 747.75 | J/mol×K | 1148.19 | Joback Calculated Property |
| Cp,gas | 754.14 | J/mol×K | 1191.49 | Joback Calculated Property |
| Cp,gas | 759.99 | J/mol×K | 1234.79 | Joback Calculated Property |
| Cp,gas | 765.39 | J/mol×K | 1278.09 | Joback Calculated Property |
| η | [0.0000706; 0.0003038] | Pa×s | [679.78; 1018.29] |
|
| η | 0.0003038 | Pa×s | 679.78 | Joback Calculated Property |
| η | 0.0002170 | Pa×s | 736.20 | Joback Calculated Property |
| η | 0.0001626 | Pa×s | 792.62 | Joback Calculated Property |
| η | 0.0001266 | Pa×s | 849.04 | Joback Calculated Property |
| η | 0.0001017 | Pa×s | 905.45 | Joback Calculated Property |
| η | 0.0000838 | Pa×s | 961.87 | Joback Calculated Property |
| η | 0.0000706 | Pa×s | 1018.29 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, naphth-2-yl 2,4,6-trichlorophenyl ester.
Sources
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