Chemical Properties of BIPHENYL-4-CARBOXYLIC ACID

InChI

InChI=1S/C13H10O2/c14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,(H,14,15)

InChI Key

NNJMFJSKMRYHSR-UHFFFAOYSA-N

Formula

C13H10O2

SMILES

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

Molecular Weight¹

198.22

Other Names

• 4-Biphenylcarboxylic acid
• 4-Carboxy-1,1'-biphenyl
• 4-Carboxybiphenyl
• 4-Diphenylcarboxylic acid
• 4-Phenylbenzoic acid
• Benzoic acid, p-phenyl-
• Biphenylcarboxylic acid-(4)
• Diphenyl-4-carboxylic acid
• NSC 23040
• Para phenyl benzoic acid
• [1,1'-Biphenyl]-4-carboxylic acid
• p-Phenylbenzoic 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_subH° : Enthalpy of sublimation 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

Property	Value	Unit	Source
ω	0.7241		Relay (1.0) Calculated Property
ΔfG°	-70.14	kJ/mol	Joback Calculated Property
ΔfH°gas	-201.37	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	27.26	kJ/mol	Joback Calculated Property
ΔsubH°	127.50 ± 4.10	kJ/mol	NIST
ΔvapH°	112.97	kJ/mol	Relay (1.0) Calculated Property
IE	8.60	eV	Relay (1.0) Calculated Property
log10WS	-3.61		Relay (1.0) Calculated Property
logPoct/wat	3.052		Crippen Calculated Property
McVol	153.950	ml/mol	McGowan Calculated Property
Pc	3341.24	kPa	Joback Calculated Property
Tboil	618.09	K	Relay (1.0) Calculated Property
Tc	901.43	K	Relay (1.0) Calculated Property
Tfus	[483.00; 500.15]	K
Tfus	500.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	483.00 ± 5.00	K	NIST
Vc	0.561	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[182.92; 460.70]	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			-5.78400e+01
Coefficient B			1.07230e+00
Coefficient C			-7.51360e-04
Coefficient D			1.97600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	182.92	J/mol×K	273.00	Calculated Property
Cp,gas	236.23	J/mol×K	353.78	Calculated Property
Cp,gas	282.46	J/mol×K	434.56	Calculated Property
Cp,gas	322.26	J/mol×K	515.33	Calculated Property
Cp,gas	356.23	J/mol×K	596.11	Calculated Property
Cp,gas	385.01	J/mol×K	676.89	Calculated Property
Cp,gas	409.23	J/mol×K	757.67	Calculated Property
Cp,gas	429.49	J/mol×K	838.44	Calculated Property
Cp,gas	446.44	J/mol×K	919.22	Calculated Property
Cp,gas	460.70	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0006394; 0.0001840]	Pa×s	[491.57; 667.87]	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			-1.20726e+01
Coefficient B			2.31904e+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.			491.57
Temperature range, max.			667.87
η	0.0006394	Pa×s	491.57	Calculated Property
η	0.0005336	Pa×s	511.16	Calculated Property
η	0.0004514	Pa×s	530.75	Calculated Property
η	0.0003863	Pa×s	550.34	Calculated Property
η	0.0003343	Pa×s	569.93	Calculated Property
η	0.0002920	Pa×s	589.52	Calculated Property
η	0.0002573	Pa×s	609.10	Calculated Property
η	0.0002285	Pa×s	628.69	Calculated Property
η	0.0002044	Pa×s	648.28	Calculated Property
η	0.0001840	Pa×s	667.87	Calculated Property

Similar Compounds

Find more compounds similar to BIPHENYL-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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