- InChI
- InChI=1S/C22H33ClO4/c1-18(2)11-10-16-27-22(25)20-13-9-12-19(17-20)21(24)26-15-8-6-4-3-5-7-14-23/h9,12-13,17-18H,3-8,10-11,14-16H2,1-2H3
- InChI Key
- ZHQFRDCEPFXFJT-UHFFFAOYSA-N
- Formula
- C22H33ClO4
- SMILES
-
CC(C)CCCOC(=O)c1cccc(C(=O)OCCC
CCCCCCl)c1 - Molecular Weight1
- 396.95
- 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° | -245.07 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -782.97 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 52.64 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.81 | kJ/mol | Joback Calculated Property |
| log10WS | -6.89 | Crippen Calculated Property | |
| logPoct/wat | 6.016 | Crippen Calculated Property | |
| McVol | 324.200 | ml/mol | McGowan Calculated Property |
| Pc | 1148.32 | kPa | Joback Calculated Property |
| Inp | [2931.00; 2931.00] |
|
|
| Inp | 2931.00 | NIST | |
| Inp | 2931.00 | NIST | |
| Tboil | 923.99 | K | Joback Calculated Property |
| Tc | 1134.49 | K | Joback Calculated Property |
| Tfus | 535.88 | K | Joback Calculated Property |
| Vc | 1.250 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1024.82; 1098.78] | J/mol×K | [923.99; 1134.49] |
|
| Cp,gas | 1024.82 | J/mol×K | 923.99 | Joback Calculated Property |
| Cp,gas | 1040.24 | J/mol×K | 959.07 | Joback Calculated Property |
| Cp,gas | 1054.38 | J/mol×K | 994.16 | Joback Calculated Property |
| Cp,gas | 1067.27 | J/mol×K | 1029.24 | Joback Calculated Property |
| Cp,gas | 1078.94 | J/mol×K | 1064.32 | Joback Calculated Property |
| Cp,gas | 1089.43 | J/mol×K | 1099.41 | Joback Calculated Property |
| Cp,gas | 1098.78 | J/mol×K | 1134.49 | Joback Calculated Property |
| η | [0.0000321; 0.0004300] | Pa×s | [535.88; 923.99] |
|
| η | 0.0004300 | Pa×s | 535.88 | Joback Calculated Property |
| η | 0.0002211 | Pa×s | 600.57 | Joback Calculated Property |
| η | 0.0001294 | Pa×s | 665.25 | Joback Calculated Property |
| η | 0.0000832 | Pa×s | 729.93 | Joback Calculated Property |
| η | 0.0000575 | Pa×s | 794.62 | Joback Calculated Property |
| η | 0.0000421 | Pa×s | 859.30 | Joback Calculated Property |
| η | 0.0000321 | Pa×s | 923.99 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, 8-chloroctyl isohexyl ester.
Sources
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