- InChI
- InChI=1S/C22H23Cl3O4/c1-2-3-4-5-6-7-11-28-21(26)15-9-8-10-16(12-15)22(27)29-20-14-18(24)17(23)13-19(20)25/h8-10,12-14H,2-7,11H2,1H3
- InChI Key
- XLQRIGGTPJQUBM-UHFFFAOYSA-N
- Formula
- C22H23Cl3O4
- SMILES
-
CCCCCCCCOC(=O)c1cccc(C(=O)Oc2c
c(Cl)c(Cl)cc2Cl)c1 - Molecular Weight1
- 457.77
- 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° | -182.97 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -607.05 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 57.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 103.23 | kJ/mol | Joback Calculated Property |
| log10WS | -8.79 | Crippen Calculated Property | |
| logPoct/wat | 7.383 | Crippen Calculated Property | |
| McVol | 324.920 | ml/mol | McGowan Calculated Property |
| Pc | 1325.20 | kPa | Joback Calculated Property |
| Inp | [3304.00; 3304.00] |
|
|
| Inp | 3304.00 | NIST | |
| Inp | 3304.00 | NIST | |
| Tboil | 1040.91 | K | Joback Calculated Property |
| Tc | 1280.01 | K | Joback Calculated Property |
| Tfus | 674.70 | K | Joback Calculated Property |
| Vc | 1.246 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [956.55; 995.26] | J/mol×K | [1040.91; 1280.01] |
|
| Cp,gas | 956.55 | J/mol×K | 1040.91 | Joback Calculated Property |
| Cp,gas | 966.37 | J/mol×K | 1080.76 | Joback Calculated Property |
| Cp,gas | 974.79 | J/mol×K | 1120.61 | Joback Calculated Property |
| Cp,gas | 981.85 | J/mol×K | 1160.46 | Joback Calculated Property |
| Cp,gas | 987.59 | J/mol×K | 1200.31 | Joback Calculated Property |
| Cp,gas | 992.05 | J/mol×K | 1240.16 | Joback Calculated Property |
| Cp,gas | 995.26 | J/mol×K | 1280.01 | Joback Calculated Property |
| η | [0.0000280; 0.0001729] | Pa×s | [674.70; 1040.91] |
|
| η | 0.0001729 | Pa×s | 674.70 | Joback Calculated Property |
| η | 0.0001125 | Pa×s | 735.74 | Joback Calculated Property |
| η | 0.0000782 | Pa×s | 796.77 | Joback Calculated Property |
| η | 0.0000572 | Pa×s | 857.80 | Joback Calculated Property |
| η | 0.0000437 | Pa×s | 918.84 | Joback Calculated Property |
| η | 0.0000345 | Pa×s | 979.87 | Joback Calculated Property |
| η | 0.0000280 | Pa×s | 1040.91 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, octyl 2,4,5-trichlorophenyl ester.
Sources
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