Chemical Properties of 2-Bromo-benzoic acid biphenyl-4-yl ester

InChI

InChI=1S/C19H13BrO2/c20-18-9-5-4-8-17(18)19(21)22-16-12-10-15(11-13-16)14-6-2-1-3-7-14/h1-13H

InChI Key

ZREUHIFWVAMBSH-UHFFFAOYSA-N

Formula

C19H13BrO2

SMILES

O=C(Oc1ccc(-c2ccccc2)cc1)c1ccccc1Br

Molecular Weight¹

353.21

Other Names

• 2-Bromobenzoic acid, 4-biphenyl ester

• 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).
• 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, Enthalpy of vaporization at standard conditions, 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	[272.20; 655.08]	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			-5.39000e+01
Coefficient B			1.43650e+00
Coefficient C			-9.46120e-04
Coefficient D			2.18600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	272.20	J/mol×K	273.00	Calculated Property
Cp,gas	345.57	J/mol×K	353.78	Calculated Property
Cp,gas	409.61	J/mol×K	434.56	Calculated Property
Cp,gas	465.03	J/mol×K	515.33	Calculated Property
Cp,gas	512.52	J/mol×K	596.11	Calculated Property
Cp,gas	552.75	J/mol×K	676.89	Calculated Property
Cp,gas	586.44	J/mol×K	757.67	Calculated Property
Cp,gas	614.26	J/mol×K	838.44	Calculated Property
Cp,gas	636.91	J/mol×K	919.22	Calculated Property
Cp,gas	655.08	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0005679; 0.0000853]	Pa×s	[510.32; 784.01]	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			-1.29049e+01
Coefficient B			2.77172e+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.			510.32
Temperature range, max.			784.01
η	0.0005679	Pa×s	510.32	Calculated Property
η	0.0004184	Pa×s	540.73	Calculated Property
η	0.0003185	Pa×s	571.14	Calculated Property
η	0.0002492	Pa×s	601.55	Calculated Property
η	0.0001996	Pa×s	631.96	Calculated Property
η	0.0001632	Pa×s	662.37	Calculated Property
η	0.0001358	Pa×s	692.78	Calculated Property
η	0.0001148	Pa×s	723.19	Calculated Property
η	0.0000984	Pa×s	753.60	Calculated Property
η	0.0000853	Pa×s	784.01	Calculated Property

Similar Compounds

Find more compounds similar to 2-Bromo-benzoic acid biphenyl-4-yl 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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