- InChI
- InChI=1S/C18H13Cl3O4/c1-10-5-11(2)7-13(6-10)24-16(22)3-4-17(23)25-18-14(20)8-12(19)9-15(18)21/h3-9H,1-2H3/b4-3+
- InChI Key
- ATRFQQXXYJAUSH-ONEGZZNKSA-N
- Formula
- C18H13Cl3O4
- SMILES
-
Cc1cc(C)cc(OC(=O)C=CC(=O)Oc2c(
Cl)cc(Cl)cc2Cl)c1 - Molecular Weight1
- 399.65
- 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° | -146.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -418.74 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 46.88 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 94.95 | kJ/mol | Joback Calculated Property |
| log10WS | -6.61 | Crippen Calculated Property | |
| logPoct/wat | 5.331 | Crippen Calculated Property | |
| McVol | 264.260 | ml/mol | McGowan Calculated Property |
| Pc | 1848.33 | kPa | Joback Calculated Property |
| Inp | [2794.00; 2794.00] |
|
|
| Inp | 2794.00 | NIST | |
| Inp | 2794.00 | NIST | |
| Tboil | 958.53 | K | Joback Calculated Property |
| Tc | 1205.09 | K | Joback Calculated Property |
| Tfus | 637.06 | K | Joback Calculated Property |
| Vc | 1.002 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [695.73; 734.18] | J/mol×K | [958.53; 1205.09] |
|
| Cp,gas | 695.73 | J/mol×K | 958.53 | Joback Calculated Property |
| Cp,gas | 704.90 | J/mol×K | 999.62 | Joback Calculated Property |
| Cp,gas | 712.92 | J/mol×K | 1040.72 | Joback Calculated Property |
| Cp,gas | 719.83 | J/mol×K | 1081.81 | Joback Calculated Property |
| Cp,gas | 725.65 | J/mol×K | 1122.90 | Joback Calculated Property |
| Cp,gas | 730.43 | J/mol×K | 1163.99 | Joback Calculated Property |
| Cp,gas | 734.18 | J/mol×K | 1205.09 | Joback Calculated Property |
| η | [0.0000454; 0.0002255] | Pa×s | [637.06; 958.53] |
|
| η | 0.0002255 | Pa×s | 637.06 | Joback Calculated Property |
| η | 0.0001557 | Pa×s | 690.64 | Joback Calculated Property |
| η | 0.0001133 | Pa×s | 744.22 | Joback Calculated Property |
| η | 0.0000861 | Pa×s | 797.80 | Joback Calculated Property |
| η | 0.0000678 | Pa×s | 851.37 | Joback Calculated Property |
| η | 0.0000548 | Pa×s | 904.95 | Joback Calculated Property |
| η | 0.0000454 | Pa×s | 958.53 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 3,5-dimethylphenyl 2,4,6-trichlorophenyl ester.
Sources
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