- InChI
- InChI=1S/C17H11Cl3O4/c1-10-4-2-3-5-14(10)23-15(21)6-7-16(22)24-17-12(19)8-11(18)9-13(17)20/h2-9H,1H3/b7-6+
- InChI Key
- BNXQODRHCKXXSC-VOTSOKGWSA-N
- Formula
- C17H11Cl3O4
- SMILES
-
Cc1ccccc1OC(=O)C=CC(=O)Oc1c(Cl
)cc(Cl)cc1Cl - Molecular Weight1
- 385.63
- 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° | -144.85 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -386.63 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 44.68 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 92.06 | kJ/mol | Joback Calculated Property |
| log10WS | -6.13 | Crippen Calculated Property | |
| logPoct/wat | 5.022 | Crippen Calculated Property | |
| McVol | 250.170 | ml/mol | McGowan Calculated Property |
| Pc | 2038.23 | kPa | Joback Calculated Property |
| Inp | [2639.00; 2639.00] |
|
|
| Inp | 2639.00 | NIST | |
| Inp | 2639.00 | NIST | |
| Tboil | 930.67 | K | Joback Calculated Property |
| Tc | 1179.43 | K | Joback Calculated Property |
| Tfus | 613.27 | K | Joback Calculated Property |
| Vc | 0.947 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [641.93; 680.42] | J/mol×K | [930.67; 1179.43] |
|
| Cp,gas | 641.93 | J/mol×K | 930.67 | Joback Calculated Property |
| Cp,gas | 650.97 | J/mol×K | 972.13 | Joback Calculated Property |
| Cp,gas | 658.91 | J/mol×K | 1013.59 | Joback Calculated Property |
| Cp,gas | 665.79 | J/mol×K | 1055.05 | Joback Calculated Property |
| Cp,gas | 671.64 | J/mol×K | 1096.51 | Joback Calculated Property |
| Cp,gas | 676.50 | J/mol×K | 1137.97 | Joback Calculated Property |
| Cp,gas | 680.42 | J/mol×K | 1179.43 | Joback Calculated Property |
| η | [0.0000511; 0.0002712] | Pa×s | [613.27; 930.67] |
|
| η | 0.0002712 | Pa×s | 613.27 | Joback Calculated Property |
| η | 0.0001839 | Pa×s | 666.17 | Joback Calculated Property |
| η | 0.0001320 | Pa×s | 719.07 | Joback Calculated Property |
| η | 0.0000992 | Pa×s | 771.97 | Joback Calculated Property |
| η | 0.0000773 | Pa×s | 824.87 | Joback Calculated Property |
| η | 0.0000621 | Pa×s | 877.77 | Joback Calculated Property |
| η | 0.0000511 | Pa×s | 930.67 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 2-methylphenyl 2,4,6-trichlorophenyl ester.
Sources
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