- InChI
- InChI=1S/C16H15ClO2/c17-12-4-7-16(18)19-15-10-8-14(9-11-15)13-5-2-1-3-6-13/h1-3,5-6,8-11H,4,7,12H2
- InChI Key
- CTIRJFONWYTVGL-UHFFFAOYSA-N
- Formula
- C16H15ClO2
- SMILES
- O=C(CCCCl)Oc1ccc(-c2ccccc2)cc1
- Molecular Weight1
- 274.74
- 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° | 53.18 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -172.52 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 31.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.97 | kJ/mol | Joback Calculated Property |
| log10WS | -5.38 | Crippen Calculated Property | |
| logPoct/wat | 4.278 | Crippen Calculated Property | |
| McVol | 208.460 | ml/mol | McGowan Calculated Property |
| Pc | 2271.90 | kPa | Joback Calculated Property |
| Inp | 2355.00 | NIST | |
| Tboil | 737.54 | K | Joback Calculated Property |
| Tc | 973.82 | K | Joback Calculated Property |
| Tfus | 437.52 | K | Joback Calculated Property |
| Vc | 0.788 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [543.75; 614.84] | J/mol×K | [737.54; 973.82] | 
|
| Cp,gas | 543.75 | J/mol×K | 737.54 | Joback Calculated Property |
| Cp,gas | 558.38 | J/mol×K | 776.92 | Joback Calculated Property |
| Cp,gas | 571.82 | J/mol×K | 816.30 | Joback Calculated Property |
| Cp,gas | 584.13 | J/mol×K | 855.68 | Joback Calculated Property |
| Cp,gas | 595.37 | J/mol×K | 895.06 | Joback Calculated Property |
| Cp,gas | 605.58 | J/mol×K | 934.44 | Joback Calculated Property |
| Cp,gas | 614.84 | J/mol×K | 973.82 | Joback Calculated Property |
| η | [0.0001118; 0.0010146] | Pa×s | [437.52; 737.54] |
|
| η | 0.0010146 | Pa×s | 437.52 | Joback Calculated Property |
| η | 0.0005818 | Pa×s | 487.52 | Joback Calculated Property |
| η | 0.0003700 | Pa×s | 537.53 | Joback Calculated Property |
| η | 0.0002541 | Pa×s | 587.53 | Joback Calculated Property |
| η | 0.0001852 | Pa×s | 637.53 | Joback Calculated Property |
| η | 0.0001413 | Pa×s | 687.54 | Joback Calculated Property |
| η | 0.0001118 | Pa×s | 737.54 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Chlorobutyric acid, 4-biphenyl ester.
Sources
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