- InChI
- InChI=1S/C20H20Cl2O4/c1-13(2)6-5-11-25-19(23)14-7-3-8-15(12-14)20(24)26-18-16(21)9-4-10-17(18)22/h3-4,7-10,12-13H,5-6,11H2,1-2H3
- InChI Key
- OXHFHMDEGXEPPP-UHFFFAOYSA-N
- Formula
- C20H20Cl2O4
- SMILES
-
CC(C)CCCOC(=O)c1cccc(C(=O)Oc2c
(Cl)cccc2Cl)c1 - Molecular Weight1
- 395.28
- 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° | -180.69 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -543.84 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 44.92 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 93.35 | kJ/mol | Joback Calculated Property |
| log10WS | -7.02 | Crippen Calculated Property | |
| logPoct/wat | 5.806 | Crippen Calculated Property | |
| McVol | 284.500 | ml/mol | McGowan Calculated Property |
| Pc | 1606.42 | kPa | Joback Calculated Property |
| Inp | [2897.00; 2897.00] |
|
|
| Inp | 2897.00 | NIST | |
| Inp | 2897.00 | NIST | |
| Tboil | 952.30 | K | Joback Calculated Property |
| Tc | 1187.41 | K | Joback Calculated Property |
| Tfus | 594.72 | K | Joback Calculated Property |
| Vc | 1.079 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [823.54; 871.89] | J/mol×K | [952.30; 1187.41] |
|
| Cp,gas | 823.54 | J/mol×K | 952.30 | Joback Calculated Property |
| Cp,gas | 834.82 | J/mol×K | 991.49 | Joback Calculated Property |
| Cp,gas | 844.76 | J/mol×K | 1030.67 | Joback Calculated Property |
| Cp,gas | 853.41 | J/mol×K | 1069.86 | Joback Calculated Property |
| Cp,gas | 860.79 | J/mol×K | 1109.04 | Joback Calculated Property |
| Cp,gas | 866.94 | J/mol×K | 1148.23 | Joback Calculated Property |
| Cp,gas | 871.89 | J/mol×K | 1187.41 | Joback Calculated Property |
| η | [0.0000395; 0.0003024] | Pa×s | [594.72; 952.30] |
|
| η | 0.0003024 | Pa×s | 594.72 | Joback Calculated Property |
| η | 0.0001846 | Pa×s | 654.32 | Joback Calculated Property |
| η | 0.0001223 | Pa×s | 713.91 | Joback Calculated Property |
| η | 0.0000864 | Pa×s | 773.51 | Joback Calculated Property |
| η | 0.0000641 | Pa×s | 833.11 | Joback Calculated Property |
| η | 0.0000495 | Pa×s | 892.70 | Joback Calculated Property |
| η | 0.0000395 | Pa×s | 952.30 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, 2,6-dichlorophenyl isohexyl ester.
Sources
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