Chemical Properties of 4-Propylbiphenyl-4'-carboxylic acid (CAS 88038-94-2)

InChI

InChI=1S/C16H16O2/c1-2-3-12-4-6-13(7-5-12)14-8-10-15(11-9-14)16(17)18/h4-11H,2-3H2,1H3,(H,17,18)

InChI Key

HCPBURTZSXRGBN-UHFFFAOYSA-N

Formula

C16H16O2

SMILES

CCCc1ccc(-c2ccc(C(=O)O)cc2)cc1

Molecular Weight¹

240.30

CAS

88038-94-2

Other Names

• 4-(4-n-Propylphenyl)benzoic acid
• 4-(p-n-Propylphenyl)benzoic acid
• 4-n-Propylbiphenyl-4'-carboxylic acid

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[249.11; 612.43]	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			-4.62680e+01
Coefficient B			1.29782e+00
Coefficient C			-8.47520e-04
Coefficient D			2.08400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	249.11	J/mol×K	273.00	Calculated Property
Cp,gas	316.02	J/mol×K	353.78	Calculated Property
Cp,gas	374.76	J/mol×K	434.56	Calculated Property
Cp,gas	425.99	J/mol×K	515.33	Calculated Property
Cp,gas	470.36	J/mol×K	596.11	Calculated Property
Cp,gas	508.53	J/mol×K	676.89	Calculated Property
Cp,gas	541.16	J/mol×K	757.67	Calculated Property
Cp,gas	568.92	J/mol×K	838.44	Calculated Property
Cp,gas	592.46	J/mol×K	919.22	Calculated Property
Cp,gas	612.43	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0006934; 0.0001527]	Pa×s	[499.15; 709.16]	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			-1.23831e+01
Coefficient B			2.55026e+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.			499.15
Temperature range, max.			709.16
η	0.0006934	Pa×s	499.15	Calculated Property
η	0.0005519	Pa×s	522.48	Calculated Property
η	0.0004480	Pa×s	545.82	Calculated Property
η	0.0003699	Pa×s	569.15	Calculated Property
η	0.0003100	Pa×s	592.49	Calculated Property
η	0.0002634	Pa×s	615.82	Calculated Property
η	0.0002264	Pa×s	639.16	Calculated Property
η	0.0001967	Pa×s	662.49	Calculated Property
η	0.0001726	Pa×s	685.83	Calculated Property
η	0.0001527	Pa×s	709.16	Calculated Property

Similar Compounds

Find more compounds similar to 4-Propylbiphenyl-4'-carboxylic acid.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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