- InChI
- InChI=1S/C22H28Cl2O4/c23-19-10-3-1-6-17(19)13-27-21(25)15-8-5-9-16(12-15)22(26)28-14-18-7-2-4-11-20(18)24/h5,8-9,12,17-20H,1-4,6-7,10-11,13-14H2
- InChI Key
- PZGVJALZLRDDFL-UHFFFAOYSA-N
- Formula
- C22H28Cl2O4
- SMILES
-
O=C(OCC1CCCCC1Cl)c1cccc(C(=O)O
CC2CCCCC2Cl)c1 - Molecular Weight1
- 427.36
- 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° | -221.08 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -725.47 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 46.17 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 94.83 | kJ/mol | Joback Calculated Property |
| log10WS | -6.82 | Crippen Calculated Property | |
| logPoct/wat | 5.595 | Crippen Calculated Property | |
| McVol | 314.720 | ml/mol | McGowan Calculated Property |
| Pc | 1421.85 | kPa | Joback Calculated Property |
| Inp | [3454.00; 3454.00] |
|
|
| Inp | 3454.00 | NIST | |
| Inp | 3454.00 | NIST | |
| Tboil | 991.62 | K | Joback Calculated Property |
| Tc | 1237.27 | K | Joback Calculated Property |
| Tfus | 587.08 | K | Joback Calculated Property |
| Vc | 1.169 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1044.82; 1095.57] | J/mol×K | [991.62; 1237.27] |
|
| Cp,gas | 1044.82 | J/mol×K | 991.62 | Joback Calculated Property |
| Cp,gas | 1058.56 | J/mol×K | 1032.56 | Joback Calculated Property |
| Cp,gas | 1070.12 | J/mol×K | 1073.50 | Joback Calculated Property |
| Cp,gas | 1079.56 | J/mol×K | 1114.45 | Joback Calculated Property |
| Cp,gas | 1086.92 | J/mol×K | 1155.39 | Joback Calculated Property |
| Cp,gas | 1092.24 | J/mol×K | 1196.33 | Joback Calculated Property |
| Cp,gas | 1095.57 | J/mol×K | 1237.27 | Joback Calculated Property |
| η | [0.0000564; 0.0005200] | Pa×s | [587.08; 991.62] |
|
| η | 0.0005200 | Pa×s | 587.08 | Joback Calculated Property |
| η | 0.0002968 | Pa×s | 654.50 | Joback Calculated Property |
| η | 0.0001881 | Pa×s | 721.93 | Joback Calculated Property |
| η | 0.0001289 | Pa×s | 789.35 | Joback Calculated Property |
| η | 0.0000937 | Pa×s | 856.77 | Joback Calculated Property |
| η | 0.0000714 | Pa×s | 924.20 | Joback Calculated Property |
| η | 0.0000564 | Pa×s | 991.62 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, di(2-chlorocyclohexyl)methyl ester.
Sources
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