Chemical Properties of 2,2'-BIPHENYLDICARBOXYLIC ACID

InChI

InChI=1S/C14H10O4/c15-13(16)11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(17)18/h1-8H,(H,15,16)(H,17,18)

InChI Key

GWZCCUDJHOGOSO-UHFFFAOYSA-N

Formula

C14H10O4

SMILES

O=C(O)c1ccccc1-c1ccccc1C(=O)O

Molecular Weight¹

242.23

Other Names

• 2,2'-Bibenzoic acid
• 2,2'-Dicarboxybiphenyl
• 2,2'-Diphenic acid
• Biphenyl-2,2'-dicarboxylic acid
• Diphenic acid
• Diphenyl-2,2'-dicarboxylic acid
• NSC 1966
• [1,1'-Biphenyl]-2,2'-dicarboxylic acid
• o,o'-Bibenzoic acid
• o,o'-Diphenic 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_subH : Enthalpy of sublimation at a given temperature (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	0.9387		Relay (1.0) Calculated Property
ΔfG°	-415.26	kJ/mol	Joback Calculated Property
ΔfH°gas	-532.67	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	39.61	kJ/mol	Joback Calculated Property
ΔsubH°	151.90 ± 3.50	kJ/mol	NIST
ΔvapH°	132.84	kJ/mol	Relay (1.0) Calculated Property
IE	8.80	eV	Relay (1.0) Calculated Property
log10WS	-2.28		Aq. Solubility Prediction
logPoct/wat	2.750		Crippen Calculated Property
McVol	175.480	ml/mol	McGowan Calculated Property
Pc	3257.86	kPa	Joback Calculated Property
Tboil	619.61	K	Relay (1.0) Calculated Property
Tc	971.97	K	Relay (1.0) Calculated Property
Tfus	[504.40; 504.40]	K
Tfus	504.40	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	504.40	K	Aq. Solubility Prediction
Vc	0.632	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[220.31; 520.03]	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			-3.98500e+01
Coefficient B			1.15860e+00
Coefficient C			-8.11320e-04
Coefficient D			2.12600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	220.31	J/mol×K	273.00	Calculated Property
Cp,gas	277.91	J/mol×K	353.78	Calculated Property
Cp,gas	327.86	J/mol×K	434.56	Calculated Property
Cp,gas	370.85	J/mol×K	515.33	Calculated Property
Cp,gas	407.54	J/mol×K	596.11	Calculated Property
Cp,gas	438.60	J/mol×K	676.89	Calculated Property
Cp,gas	464.71	J/mol×K	757.67	Calculated Property
Cp,gas	486.53	J/mol×K	838.44	Calculated Property
Cp,gas	504.75	J/mol×K	919.22	Calculated Property
Cp,gas	520.03	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0013215; 0.0001412]	Pa×s	[504.40; 788.43]	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			-1.28361e+01
Coefficient B			3.13088e+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.			504.40
Temperature range, max.			788.43
η	0.0013215	Pa×s	504.40	Calculated Property
η	0.0009169	Pa×s	535.96	Calculated Property
η	0.0006626	Pa×s	567.52	Calculated Property
η	0.0004955	Pa×s	599.08	Calculated Property
η	0.0003815	Pa×s	630.64	Calculated Property
η	0.0003011	Pa×s	662.19	Calculated Property
η	0.0002428	Pa×s	693.75	Calculated Property
η	0.0001995	Pa×s	725.31	Calculated Property
η	0.0001667	Pa×s	756.87	Calculated Property
η	0.0001412	Pa×s	788.43	Calculated Property

Similar Compounds

Find more compounds similar to 2,2'-BIPHENYLDICARBOXYLIC 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
• Joback Method
• Aqueous Solubility Prediction Method
• McGowan Method
• NIST Webbook

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