- InChI
- InChI=1S/C20H15ClO3/c21-17-8-4-7-16(13-17)20(22)24-19-11-9-18(10-12-19)23-14-15-5-2-1-3-6-15/h1-13H,14H2
- InChI Key
- OXDQIRUYOFHTSN-UHFFFAOYSA-N
- Formula
- C20H15ClO3
- SMILES
-
O=C(Oc1ccc(OCc2ccccc2)cc1)c1cc
cc(Cl)c1 - Molecular Weight1
- 338.78
- 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° | 84.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -162.24 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 37.07 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.22 | kJ/mol | Joback Calculated Property |
| log10WS | -6.47 | Crippen Calculated Property | |
| logPoct/wat | 5.138 | Crippen Calculated Property | |
| McVol | 246.930 | ml/mol | McGowan Calculated Property |
| Pc | 2098.42 | kPa | Joback Calculated Property |
| Inp | 2970.00 | NIST | |
| Tboil | 883.14 | K | Joback Calculated Property |
| Tc | 1138.90 | K | Joback Calculated Property |
| Tfus | 543.77 | K | Joback Calculated Property |
| Vc | 0.922 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [692.15; 748.28] | J/mol×K | [883.14; 1138.90] | 
|
| Cp,gas | 692.15 | J/mol×K | 883.14 | Joback Calculated Property |
| Cp,gas | 704.95 | J/mol×K | 925.77 | Joback Calculated Property |
| Cp,gas | 716.29 | J/mol×K | 968.39 | Joback Calculated Property |
| Cp,gas | 726.22 | J/mol×K | 1011.02 | Joback Calculated Property |
| Cp,gas | 734.82 | J/mol×K | 1053.64 | Joback Calculated Property |
| Cp,gas | 742.15 | J/mol×K | 1096.27 | Joback Calculated Property |
| Cp,gas | 748.28 | J/mol×K | 1138.90 | Joback Calculated Property |
| η | [0.0000529; 0.0003973] | Pa×s | [543.77; 883.14] |
|
| η | 0.0003973 | Pa×s | 543.77 | Joback Calculated Property |
| η | 0.0002423 | Pa×s | 600.33 | Joback Calculated Property |
| η | 0.0001610 | Pa×s | 656.89 | Joback Calculated Property |
| η | 0.0001141 | Pa×s | 713.46 | Joback Calculated Property |
| η | 0.0000850 | Pa×s | 770.02 | Joback Calculated Property |
| η | 0.0000660 | Pa×s | 826.58 | Joback Calculated Property |
| η | 0.0000529 | Pa×s | 883.14 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Chlorobenzoic acid, 4-benzyloxyphenyl ester.
Sources
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