- InChI
- InChI=1S/C22H19ClO3/c1-15(16-7-4-3-5-8-16)20-14-19(25-2)11-12-21(20)26-22(24)17-9-6-10-18(23)13-17/h3-15H,1-2H3
- InChI Key
- IAVPSAAYWBLORH-UHFFFAOYSA-N
- Formula
- C22H19ClO3
- SMILES
-
COc1ccc(OC(=O)c2cccc(Cl)c2)c(C
(C)c2ccccc2)c1 - Molecular Weight1
- 366.84
- 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° | 89.41 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -220.27 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 38.34 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.94 | kJ/mol | Joback Calculated Property |
| log10WS | -6.85 | Crippen Calculated Property | |
| logPoct/wat | 5.720 | Crippen Calculated Property | |
| McVol | 275.110 | ml/mol | McGowan Calculated Property |
| Pc | 1762.45 | kPa | Joback Calculated Property |
| Inp | [2794.00; 2794.00] |
|
|
| Inp | 2794.00 | NIST | |
| Inp | 2794.00 | NIST | |
| Tboil | 933.44 | K | Joback Calculated Property |
| Tc | 1185.53 | K | Joback Calculated Property |
| Tfus | 563.83 | K | Joback Calculated Property |
| Vc | 1.028 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [804.78; 860.39] | J/mol×K | [933.44; 1185.53] |
|
| Cp,gas | 804.78 | J/mol×K | 933.44 | Joback Calculated Property |
| Cp,gas | 817.65 | J/mol×K | 975.46 | Joback Calculated Property |
| Cp,gas | 829.00 | J/mol×K | 1017.47 | Joback Calculated Property |
| Cp,gas | 838.88 | J/mol×K | 1059.49 | Joback Calculated Property |
| Cp,gas | 847.36 | J/mol×K | 1101.50 | Joback Calculated Property |
| Cp,gas | 854.51 | J/mol×K | 1143.52 | Joback Calculated Property |
| Cp,gas | 860.39 | J/mol×K | 1185.53 | Joback Calculated Property |
| η | [0.0000375; 0.0003141] | Pa×s | [563.83; 933.44] |
|
| η | 0.0003141 | Pa×s | 563.83 | Joback Calculated Property |
| η | 0.0001851 | Pa×s | 625.43 | Joback Calculated Property |
| η | 0.0001199 | Pa×s | 687.03 | Joback Calculated Property |
| η | 0.0000834 | Pa×s | 748.63 | Joback Calculated Property |
| η | 0.0000613 | Pa×s | 810.24 | Joback Calculated Property |
| η | 0.0000471 | Pa×s | 871.84 | Joback Calculated Property |
| η | 0.0000375 | Pa×s | 933.44 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Chlorobenzoic acid, 2-(1-phenylethyl)-4-methoxyphenyl ester.
Sources
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