- InChI
- InChI=1S/C13H9ClO2/c14-12-9-5-4-8-11(12)13(15)16-10-6-2-1-3-7-10/h1-9H
- InChI Key
- RBKABBZAJGDBFA-UHFFFAOYSA-N
- Formula
- C13H9ClO2
- SMILES
- O=C(Oc1ccccc1)c1ccccc1Cl
- Molecular Weight1
- 232.66
- CAS
- 41998-16-7
- Other Names
-
- 2-Chlorobenzoic acid, phenyl ester
- Phenyl 2-chlorobenzoate
- 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).
- 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° | 27.92 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -110.60 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.10 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.29 | kJ/mol | Joback Calculated Property |
| log10WS | -4.24 | Crippen Calculated Property | |
| logPoct/wat | 3.559 | Crippen Calculated Property | |
| McVol | 166.190 | ml/mol | McGowan Calculated Property |
| Pc | 3052.41 | kPa | Joback Calculated Property |
| Tboil | 668.90 | K | Joback Calculated Property |
| Tc | 920.71 | K | Joback Calculated Property |
| Tfus | 403.71 | K | Joback Calculated Property |
| Vc | 0.621 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [389.69; 452.94] | J/mol×K | [668.90; 920.71] | 
|
| Cp,gas | 389.69 | J/mol×K | 668.90 | Joback Calculated Property |
| Cp,gas | 402.92 | J/mol×K | 710.87 | Joback Calculated Property |
| Cp,gas | 415.01 | J/mol×K | 752.84 | Joback Calculated Property |
| Cp,gas | 426.00 | J/mol×K | 794.80 | Joback Calculated Property |
| Cp,gas | 435.96 | J/mol×K | 836.77 | Joback Calculated Property |
| Cp,gas | 444.92 | J/mol×K | 878.74 | Joback Calculated Property |
| Cp,gas | 452.94 | J/mol×K | 920.71 | Joback Calculated Property |
| η | [0.0001568; 0.0012209] | Pa×s | [403.71; 668.90] |
|
| η | 0.0012209 | Pa×s | 403.71 | Joback Calculated Property |
| η | 0.0007326 | Pa×s | 447.91 | Joback Calculated Property |
| η | 0.0004818 | Pa×s | 492.11 | Joback Calculated Property |
| η | 0.0003395 | Pa×s | 536.31 | Joback Calculated Property |
| η | 0.0002524 | Pa×s | 580.50 | Joback Calculated Property |
| η | 0.0001956 | Pa×s | 624.70 | Joback Calculated Property |
| η | 0.0001568 | Pa×s | 668.90 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, 2-chloro-, phenyl ester.
Sources
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