- InChI
- InChI=1S/C14H11ClO2/c15-13-8-4-7-12(9-13)14(16)17-10-11-5-2-1-3-6-11/h1-9H,10H2
- InChI Key
- FKQRAQQDDUKITH-UHFFFAOYSA-N
- Formula
- C14H11ClO2
- SMILES
- O=C(OCc1ccccc1)c1cccc(Cl)c1
- Molecular Weight1
- 246.69
- Other Names
-
- Benzoic acid, 3-chloro, phenylmethyl ester
- 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.
- I : 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° | 36.34 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -131.24 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.69 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.51 | kJ/mol | Joback Calculated Property |
| log10WS | -4.51 | Crippen Calculated Property | |
| logPoct/wat | 3.697 | Crippen Calculated Property | |
| McVol | 180.280 | ml/mol | McGowan Calculated Property |
| Pc | 2752.67 | kPa | Joback Calculated Property |
| Inp | [1880.00; 1942.00] |
|
|
| Inp | 1897.00 | NIST | |
| Inp | 1880.00 | NIST | |
| Inp | 1897.00 | NIST | |
| Inp | 1912.00 | NIST | |
| Inp | 1926.00 | NIST | |
| Inp | 1942.00 | NIST | |
| Inp | 1890.00 | NIST | |
| Inp | 1901.00 | NIST | |
| Inp | 1897.00 | NIST | |
| Inp | 1942.00 | NIST | |
| Inp | 1890.00 | NIST | |
| I | [2737.00; 2831.00] |
|
|
| I | 2768.00 | NIST | |
| I | 2737.00 | NIST | |
| I | 2768.00 | NIST | |
| I | 2797.00 | NIST | |
| I | 2831.00 | NIST | |
| I | 2799.00 | NIST | |
| I | 2786.00 | NIST | |
| I | 2799.00 | NIST | |
| I | 2768.00 | NIST | |
| Tboil | 691.78 | K | Joback Calculated Property |
| Tc | 938.00 | K | Joback Calculated Property |
| Tfus | 414.98 | K | Joback Calculated Property |
| Vc | 0.676 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [439.76; 506.14] | J/mol×K | [691.78; 938.00] |
|
| Cp,gas | 439.76 | J/mol×K | 691.78 | Joback Calculated Property |
| Cp,gas | 453.56 | J/mol×K | 732.82 | Joback Calculated Property |
| Cp,gas | 466.19 | J/mol×K | 773.85 | Joback Calculated Property |
| Cp,gas | 477.72 | J/mol×K | 814.89 | Joback Calculated Property |
| Cp,gas | 488.18 | J/mol×K | 855.92 | Joback Calculated Property |
| Cp,gas | 497.64 | J/mol×K | 896.96 | Joback Calculated Property |
| Cp,gas | 506.14 | J/mol×K | 938.00 | Joback Calculated Property |
| η | [0.0001408; 0.0011566] | Pa×s | [414.98; 691.78] |
|
| η | 0.0011566 | Pa×s | 414.98 | Joback Calculated Property |
| η | 0.0006831 | Pa×s | 461.11 | Joback Calculated Property |
| η | 0.0004441 | Pa×s | 507.25 | Joback Calculated Property |
| η | 0.0003102 | Pa×s | 553.38 | Joback Calculated Property |
| η | 0.0002289 | Pa×s | 599.51 | Joback Calculated Property |
| η | 0.0001765 | Pa×s | 645.65 | Joback Calculated Property |
| η | 0.0001408 | Pa×s | 691.78 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzyl 3-chlorobenzoate.
Sources
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