- InChI
- InChI=1S/C22H33ClO4/c1-2-3-4-5-7-10-16-26-21(24)19-13-12-14-20(18-19)22(25)27-17-11-8-6-9-15-23/h12-14,18H,2-11,15-17H2,1H3
- InChI Key
- AFHIVZGWLBKKHK-UHFFFAOYSA-N
- Formula
- C22H33ClO4
- SMILES
-
CCCCCCCCOC(=O)c1cccc(C(=O)OCCC
CCCCl)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° | -242.63 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -777.69 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 56.16 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.20 | kJ/mol | Joback Calculated Property |
| log10WS | -7.13 | Crippen Calculated Property | |
| logPoct/wat | 6.160 | Crippen Calculated Property | |
| McVol | 324.200 | ml/mol | McGowan Calculated Property |
| Pc | 1142.12 | kPa | Joback Calculated Property |
| Inp | [3058.00; 3058.00] |
|
|
| Inp | 3058.00 | NIST | |
| Inp | 3058.00 | NIST | |
| Tboil | 924.43 | K | Joback Calculated Property |
| Tc | 1134.12 | K | Joback Calculated Property |
| Tfus | 550.88 | K | Joback Calculated Property |
| Vc | 1.256 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1024.36; 1098.50] | J/mol×K | [924.43; 1134.12] |
|
| Cp,gas | 1024.36 | J/mol×K | 924.43 | Joback Calculated Property |
| Cp,gas | 1039.76 | J/mol×K | 959.38 | Joback Calculated Property |
| Cp,gas | 1053.89 | J/mol×K | 994.33 | Joback Calculated Property |
| Cp,gas | 1066.80 | J/mol×K | 1029.27 | Joback Calculated Property |
| Cp,gas | 1078.52 | J/mol×K | 1064.22 | Joback Calculated Property |
| Cp,gas | 1089.07 | J/mol×K | 1099.17 | Joback Calculated Property |
| Cp,gas | 1098.50 | J/mol×K | 1134.12 | Joback Calculated Property |
| η | [0.0000352; 0.0003880] | Pa×s | [550.88; 924.43] |
|
| η | 0.0003880 | Pa×s | 550.88 | Joback Calculated Property |
| η | 0.0002123 | Pa×s | 613.14 | Joback Calculated Property |
| η | 0.0001298 | Pa×s | 675.40 | Joback Calculated Property |
| η | 0.0000862 | Pa×s | 737.65 | Joback Calculated Property |
| η | 0.0000611 | Pa×s | 799.91 | Joback Calculated Property |
| η | 0.0000454 | Pa×s | 862.17 | Joback Calculated Property |
| η | 0.0000352 | Pa×s | 924.43 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, 6-chlorohexyl octyl ester.
Sources
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