Chemical Properties of Chloroacetic acid, 4-biphenyl ester

InChI

InChI=1S/C14H11ClO2/c15-10-14(16)17-13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9H,10H2

InChI Key

WUUVYGBVFQJTLM-UHFFFAOYSA-N

Formula

C14H11ClO2

SMILES

O=C(CCl)Oc1ccc(-c2ccccc2)cc1

Molecular Weight¹

246.69

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[220.25; 517.89]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-2.50490e+01
Coefficient B			1.06850e+00
Coefficient C			-6.58960e-04
Coefficient D			1.33400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	220.25	J/mol×K	273.00	Calculated Property
Cp,gas	276.39	J/mol×K	353.78	Calculated Property
Cp,gas	325.78	J/mol×K	434.56	Calculated Property
Cp,gas	368.84	J/mol×K	515.33	Calculated Property
Cp,gas	405.99	J/mol×K	596.11	Calculated Property
Cp,gas	437.66	J/mol×K	676.89	Calculated Property
Cp,gas	464.26	J/mol×K	757.67	Calculated Property
Cp,gas	486.22	J/mol×K	838.44	Calculated Property
Cp,gas	503.95	J/mol×K	919.22	Calculated Property
Cp,gas	517.89	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0014604; 0.0001470]	Pa×s	[385.15; 642.97]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.22549e+01
Coefficient B			2.20530e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			385.15
Temperature range, max.			642.97
η	0.0014604	Pa×s	385.15	Calculated Property
η	0.0009825	Pa×s	413.80	Calculated Property
η	0.0006958	Pa×s	442.44	Calculated Property
η	0.0005139	Pa×s	471.09	Calculated Property
η	0.0003929	Pa×s	499.73	Calculated Property
η	0.0003093	Pa×s	528.38	Calculated Property
η	0.0002496	Pa×s	557.03	Calculated Property
η	0.0002056	Pa×s	585.67	Calculated Property
η	0.0001725	Pa×s	614.32	Calculated Property
η	0.0001470	Pa×s	642.97	Calculated Property

Similar Compounds

Find more compounds similar to Chloroacetic acid, 4-biphenyl ester.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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