- InChI
- InChI=1S/C15H13ClO2/c1-2-11-3-5-12(6-4-11)15(17)18-14-9-7-13(16)8-10-14/h3-10H,2H2,1H3
- InChI Key
- YSLISJQPFLHFPN-UHFFFAOYSA-N
- Formula
- C15H13ClO2
- SMILES
- CCc1ccc(C(=O)Oc2ccc(Cl)cc2)cc1
- Molecular Weight1
- 260.72
- 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° | 35.13 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -163.35 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.40 | kJ/mol | Joback Calculated Property |
| log10WS | -5.05 | Crippen Calculated Property | |
| logPoct/wat | 4.122 | Crippen Calculated Property | |
| McVol | 194.370 | ml/mol | McGowan Calculated Property |
| Pc | 2458.04 | kPa | Joback Calculated Property |
| Inp | [2044.00; 2044.00] |
|
|
| Inp | 2044.00 | NIST | |
| Inp | 2044.00 | NIST | |
| Tboil | 719.64 | K | Joback Calculated Property |
| Tc | 961.47 | K | Joback Calculated Property |
| Tfus | 438.77 | K | Joback Calculated Property |
| Vc | 0.733 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [489.91; 558.27] | J/mol×K | [719.64; 961.47] |
|
| Cp,gas | 489.91 | J/mol×K | 719.64 | Joback Calculated Property |
| Cp,gas | 504.02 | J/mol×K | 759.95 | Joback Calculated Property |
| Cp,gas | 516.98 | J/mol×K | 800.25 | Joback Calculated Property |
| Cp,gas | 528.84 | J/mol×K | 840.56 | Joback Calculated Property |
| Cp,gas | 539.64 | J/mol×K | 880.86 | Joback Calculated Property |
| Cp,gas | 549.44 | J/mol×K | 921.17 | Joback Calculated Property |
| Cp,gas | 558.27 | J/mol×K | 961.47 | Joback Calculated Property |
| η | [0.0001259; 0.0009123] | Pa×s | [438.77; 719.64] |
|
| η | 0.0009123 | Pa×s | 438.77 | Joback Calculated Property |
| η | 0.0005593 | Pa×s | 485.58 | Joback Calculated Property |
| η | 0.0003737 | Pa×s | 532.39 | Joback Calculated Property |
| η | 0.0002665 | Pa×s | 579.20 | Joback Calculated Property |
| η | 0.0001999 | Pa×s | 626.02 | Joback Calculated Property |
| η | 0.0001561 | Pa×s | 672.83 | Joback Calculated Property |
| η | 0.0001259 | Pa×s | 719.64 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Ethylbenzoic acid, 4-chlorophenyl ester.
Sources
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