- InChI
- InChI=1S/C17H13Cl3O4/c1-2-6-23-16(21)10-4-3-5-11(7-10)17(22)24-14-9-12(18)8-13(19)15(14)20/h3-5,7-9H,2,6H2,1H3
- InChI Key
- MZJAONDRHYRYLM-UHFFFAOYSA-N
- Formula
- C17H13Cl3O4
- SMILES
-
CCCOC(=O)c1cccc(C(=O)Oc2cc(Cl)
cc(Cl)c2Cl)c1 - Molecular Weight1
- 387.64
- 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° | -225.07 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -503.85 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 44.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 92.10 | kJ/mol | Joback Calculated Property |
| log10WS | -6.69 | Crippen Calculated Property | |
| logPoct/wat | 5.433 | Crippen Calculated Property | |
| McVol | 254.470 | ml/mol | McGowan Calculated Property |
| Pc | 1945.79 | kPa | Joback Calculated Property |
| Inp | [2761.00; 2761.00] |
|
|
| Inp | 2761.00 | NIST | |
| Inp | 2761.00 | NIST | |
| Tboil | 926.51 | K | Joback Calculated Property |
| Tc | 1168.45 | K | Joback Calculated Property |
| Tfus | 618.35 | K | Joback Calculated Property |
| Vc | 0.967 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [670.85; 709.08] | J/mol×K | [926.51; 1168.45] |
|
| Cp,gas | 670.85 | J/mol×K | 926.51 | Joback Calculated Property |
| Cp,gas | 680.22 | J/mol×K | 966.83 | Joback Calculated Property |
| Cp,gas | 688.37 | J/mol×K | 1007.16 | Joback Calculated Property |
| Cp,gas | 695.31 | J/mol×K | 1047.48 | Joback Calculated Property |
| Cp,gas | 701.07 | J/mol×K | 1087.81 | Joback Calculated Property |
| Cp,gas | 705.65 | J/mol×K | 1128.13 | Joback Calculated Property |
| Cp,gas | 709.08 | J/mol×K | 1168.45 | Joback Calculated Property |
| η | [0.0000583; 0.0002965] | Pa×s | [618.35; 926.51] |
|
| η | 0.0002965 | Pa×s | 618.35 | Joback Calculated Property |
| η | 0.0002038 | Pa×s | 669.71 | Joback Calculated Property |
| η | 0.0001478 | Pa×s | 721.07 | Joback Calculated Property |
| η | 0.0001118 | Pa×s | 772.43 | Joback Calculated Property |
| η | 0.0000876 | Pa×s | 823.79 | Joback Calculated Property |
| η | 0.0000706 | Pa×s | 875.15 | Joback Calculated Property |
| η | 0.0000583 | Pa×s | 926.51 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, propyl 2,3,5-trichlorophenyl ester.
Sources
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