- InChI
- InChI=1S/C19H25ClO4/c1-13(2)11-23-18(21)14-7-5-8-15(10-14)19(22)24-12-16-6-3-4-9-17(16)20/h5,7-8,10,13,16-17H,3-4,6,9,11-12H2,1-2H3
- InChI Key
- QGDAVLARXSUQOA-UHFFFAOYSA-N
- Formula
- C19H25ClO4
- SMILES
-
CC(C)COC(=O)c1cccc(C(=O)OCC2CC
CCC2Cl)c1 - Molecular Weight1
- 352.85
- 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° | -253.59 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -687.07 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 37.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.25 | kJ/mol | Joback Calculated Property |
| log10WS | -5.40 | Crippen Calculated Property | |
| logPoct/wat | 4.454 | Crippen Calculated Property | |
| McVol | 271.070 | ml/mol | McGowan Calculated Property |
| Pc | 1611.58 | kPa | Joback Calculated Property |
| Inp | [2715.00; 2715.00] |
|
|
| Inp | 2715.00 | NIST | |
| Inp | 2715.00 | NIST | |
| Tboil | 870.23 | K | Joback Calculated Property |
| Tc | 1097.35 | K | Joback Calculated Property |
| Tfus | 505.21 | K | Joback Calculated Property |
| Vc | 1.014 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [845.28; 918.01] | J/mol×K | [870.23; 1097.35] |
|
| Cp,gas | 845.28 | J/mol×K | 870.23 | Joback Calculated Property |
| Cp,gas | 861.27 | J/mol×K | 908.08 | Joback Calculated Property |
| Cp,gas | 875.68 | J/mol×K | 945.94 | Joback Calculated Property |
| Cp,gas | 888.54 | J/mol×K | 983.79 | Joback Calculated Property |
| Cp,gas | 899.86 | J/mol×K | 1021.64 | Joback Calculated Property |
| Cp,gas | 909.68 | J/mol×K | 1059.50 | Joback Calculated Property |
| Cp,gas | 918.01 | J/mol×K | 1097.35 | Joback Calculated Property |
| η | [0.0000672; 0.0007488] | Pa×s | [505.21; 870.23] |
|
| η | 0.0007488 | Pa×s | 505.21 | Joback Calculated Property |
| η | 0.0004037 | Pa×s | 566.05 | Joback Calculated Property |
| η | 0.0002454 | Pa×s | 626.88 | Joback Calculated Property |
| η | 0.0001629 | Pa×s | 687.72 | Joback Calculated Property |
| η | 0.0001156 | Pa×s | 748.56 | Joback Calculated Property |
| η | 0.0000863 | Pa×s | 809.39 | Joback Calculated Property |
| η | 0.0000672 | Pa×s | 870.23 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, (2-chlorocyclohexyl)methyl isobutyl ester.
Sources
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