- InChI
- InChI=1S/C13H8Cl2O2/c14-10-3-1-9(2-4-10)13(16)17-12-7-5-11(15)6-8-12/h1-8H
- InChI Key
- BJLVHBDHEMFVIE-UHFFFAOYSA-N
- Formula
- C13H8Cl2O2
- SMILES
- O=C(Oc1ccc(Cl)cc1)c1ccc(Cl)cc1
- Molecular Weight1
- 267.11
- 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° | 6.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -137.81 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.91 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.33 | kJ/mol | Joback Calculated Property |
| log10WS | -4.93 | Crippen Calculated Property | |
| logPoct/wat | 4.213 | Crippen Calculated Property | |
| McVol | 178.430 | ml/mol | McGowan Calculated Property |
| Pc | 2884.30 | kPa | Joback Calculated Property |
| Inp | [1997.00; 1997.00] |
|
|
| Inp | 1997.00 | NIST | |
| Inp | 1997.00 | NIST | |
| Tboil | 711.31 | K | Joback Calculated Property |
| Tc | 966.18 | K | Joback Calculated Property |
| Tfus | 446.15 | K | Joback Calculated Property |
| Vc | 0.669 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [410.63; 466.10] | J/mol×K | [711.31; 966.18] |
|
| Cp,gas | 410.63 | J/mol×K | 711.31 | Joback Calculated Property |
| Cp,gas | 422.43 | J/mol×K | 753.79 | Joback Calculated Property |
| Cp,gas | 433.14 | J/mol×K | 796.27 | Joback Calculated Property |
| Cp,gas | 442.82 | J/mol×K | 838.75 | Joback Calculated Property |
| Cp,gas | 451.51 | J/mol×K | 881.22 | Joback Calculated Property |
| Cp,gas | 459.25 | J/mol×K | 923.70 | Joback Calculated Property |
| Cp,gas | 466.10 | J/mol×K | 966.18 | Joback Calculated Property |
| η | [0.0001449; 0.0009179] | Pa×s | [446.15; 711.31] |
|
| η | 0.0009179 | Pa×s | 446.15 | Joback Calculated Property |
| η | 0.0005874 | Pa×s | 490.34 | Joback Calculated Property |
| η | 0.0004047 | Pa×s | 534.54 | Joback Calculated Property |
| η | 0.0002951 | Pa×s | 578.73 | Joback Calculated Property |
| η | 0.0002251 | Pa×s | 622.92 | Joback Calculated Property |
| η | 0.0001780 | Pa×s | 667.12 | Joback Calculated Property |
| η | 0.0001449 | Pa×s | 711.31 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Chlorobenzoic acid, 4-chlorophenyl ester.
Sources
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