- InChI
- InChI=1S/C18H17ClO4/c1-12(2)11-22-17(20)13-4-3-5-14(10-13)18(21)23-16-8-6-15(19)7-9-16/h3-10,12H,11H2,1-2H3
- InChI Key
- CIMMCUYWIADFND-UHFFFAOYSA-N
- Formula
- C18H17ClO4
- SMILES
-
CC(C)COC(=O)c1cccc(C(=O)Oc2ccc
(Cl)cc2)c1 - Molecular Weight1
- 332.78
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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).
- 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 |
|---|---|---|---|
| ω | 0.8236 | Relay (... Calculated Property | |
| ΔfG° | -175.97 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -611.04 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 35.93 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 95.23 | kJ/mol | Relay (... Calculated Property |
| IE | 8.77 | eV | Relay (... Calculated Property |
| log10WS | -5.51 | Relay (... Calculated Property | |
| logPoct/wat | 4.372 | Crippen Calculated Property | |
| McVol | 244.080 | ml/mol | McGowan Calculated Property |
| Pc | 1973.55 | kPa | Joback Calculated Property |
| Tboil | 658.51 | K | Relay (... Calculated Property |
| Tc | 902.94 | K | Relay (... Calculated Property |
| Tfus | 335.95 | K | Relay (... Calculated Property |
| Vc | 0.883 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [690.43; 747.45] | J/mol×K | [864.13; 1099.69] | 
|
| Cp,gas | 690.43 | J/mol×K | 864.13 | Joback Calculated Property |
| Cp,gas | 703.05 | J/mol×K | 903.39 | Joback Calculated Property |
| Cp,gas | 714.38 | J/mol×K | 942.65 | Joback Calculated Property |
| Cp,gas | 724.45 | J/mol×K | 981.91 | Joback Calculated Property |
| Cp,gas | 733.30 | J/mol×K | 1021.17 | Joback Calculated Property |
| Cp,gas | 740.96 | J/mol×K | 1060.43 | Joback Calculated Property |
| Cp,gas | 747.45 | J/mol×K | 1099.69 | Joback Calculated Property |
| η | [0.0000598; 0.0005029] | Pa×s | [529.74; 864.13] |
|
| η | 0.0005029 | Pa×s | 529.74 | Joback Calculated Property |
| η | 0.0002978 | Pa×s | 585.47 | Joback Calculated Property |
| η | 0.0001932 | Pa×s | 641.20 | Joback Calculated Property |
| η | 0.0001343 | Pa×s | 696.93 | Joback Calculated Property |
| η | 0.0000985 | Pa×s | 752.67 | Joback Calculated Property |
| η | 0.0000754 | Pa×s | 808.40 | Joback Calculated Property |
| η | 0.0000598 | Pa×s | 864.13 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, 4-chlorophenyl isobutyl ester.
Sources
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