Chemical Properties of Methyl 3-(1,1'-biphenyl-4-yl)butanoate (CAS 24254-67-9)

InChI

InChI=1S/C17H18O2/c1-13(12-17(18)19-2)14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11,13H,12H2,1-2H3

InChI Key

CRQARNDWPSBDKT-UHFFFAOYSA-N

Formula

C17H18O2

SMILES

COC(=O)CC(C)c1ccc(-c2ccccc2)cc1

Molecular Weight¹

254.32

CAS

24254-67-9

Other Names

• 3-(4-Biphenylyl)butanoic acid methyl 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).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• 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, Log10 of Water solubility in mol/l 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	[270.18; 664.93]	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			-4.23490e+01
Coefficient B			1.35264e+00
Coefficient C			-8.04960e-04
Coefficient D			1.59600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	270.18	J/mol×K	273.00	Calculated Property
Cp,gas	342.50	J/mol×K	353.78	Calculated Property
Cp,gas	406.54	J/mol×K	434.56	Calculated Property
Cp,gas	462.78	J/mol×K	515.33	Calculated Property
Cp,gas	511.74	J/mol×K	596.11	Calculated Property
Cp,gas	553.92	J/mol×K	676.89	Calculated Property
Cp,gas	589.82	J/mol×K	757.67	Calculated Property
Cp,gas	619.96	J/mol×K	838.44	Calculated Property
Cp,gas	644.82	J/mol×K	919.22	Calculated Property
Cp,gas	664.93	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0017170; 0.0001149]	Pa×s	[374.04; 655.79]	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			-1.26614e+01
Coefficient B			2.35428e+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.			374.04
Temperature range, max.			655.79
η	0.0017170	Pa×s	374.04	Calculated Property
η	0.0010560	Pa×s	405.35	Calculated Property
η	0.0006963	Pa×s	436.65	Calculated Property
η	0.0004855	Pa×s	467.96	Calculated Property
η	0.0003541	Pa×s	499.26	Calculated Property
η	0.0002681	Pa×s	530.57	Calculated Property
η	0.0002094	Pa×s	561.87	Calculated Property
η	0.0001679	Pa×s	593.18	Calculated Property
η	0.0001376	Pa×s	624.48	Calculated Property
η	0.0001149	Pa×s	655.79	Calculated Property

Similar Compounds

Find more compounds similar to Methyl 3-(1,1'-biphenyl-4-yl)butanoate.

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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