- InChI
- InChI=1S/C20H19Cl3O4/c1-2-3-4-5-9-26-19(24)13-7-6-8-14(10-13)20(25)27-18-12-16(22)15(21)11-17(18)23/h6-8,10-12H,2-5,9H2,1H3
- InChI Key
- AENYJRIXEMXWNJ-UHFFFAOYSA-N
- Formula
- C20H19Cl3O4
- SMILES
-
CCCCCCOC(=O)c1cccc(C(=O)Oc2cc(
Cl)c(Cl)cc2Cl)c1 - Molecular Weight1
- 429.72
- 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° | -199.81 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -565.77 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 52.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 98.78 | kJ/mol | Joback Calculated Property |
| log10WS | -7.95 | Crippen Calculated Property | |
| logPoct/wat | 6.603 | Crippen Calculated Property | |
| McVol | 296.740 | ml/mol | McGowan Calculated Property |
| Pc | 1531.86 | kPa | Joback Calculated Property |
| Inp | [3098.00; 3098.00] |
|
|
| Inp | 3098.00 | NIST | |
| Inp | 3098.00 | NIST | |
| Tboil | 995.15 | K | Joback Calculated Property |
| Tc | 1232.78 | K | Joback Calculated Property |
| Tfus | 652.16 | K | Joback Calculated Property |
| Vc | 1.135 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [840.52; 879.67] | J/mol×K | [995.15; 1232.78] |
|
| Cp,gas | 840.52 | J/mol×K | 995.15 | Joback Calculated Property |
| Cp,gas | 850.24 | J/mol×K | 1034.75 | Joback Calculated Property |
| Cp,gas | 858.64 | J/mol×K | 1074.36 | Joback Calculated Property |
| Cp,gas | 865.76 | J/mol×K | 1113.96 | Joback Calculated Property |
| Cp,gas | 871.62 | J/mol×K | 1153.57 | Joback Calculated Property |
| Cp,gas | 876.24 | J/mol×K | 1193.17 | Joback Calculated Property |
| Cp,gas | 879.67 | J/mol×K | 1232.78 | Joback Calculated Property |
| η | [0.0000377; 0.0002166] | Pa×s | [652.16; 995.15] |
|
| η | 0.0002166 | Pa×s | 652.16 | Joback Calculated Property |
| η | 0.0001439 | Pa×s | 709.32 | Joback Calculated Property |
| η | 0.0001017 | Pa×s | 766.49 | Joback Calculated Property |
| η | 0.0000754 | Pa×s | 823.65 | Joback Calculated Property |
| η | 0.0000581 | Pa×s | 880.82 | Joback Calculated Property |
| η | 0.0000462 | Pa×s | 937.98 | Joback Calculated Property |
| η | 0.0000377 | Pa×s | 995.15 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, hexyl 2,4,5-trichlorophenyl ester.
Sources
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