Chemical Properties of 1,1'-BIPHENYL, 2-CARBOXY ACID

InChI

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

InChI Key

ILYSAKHOYBPSPC-UHFFFAOYSA-N

Formula

C13H10O2

SMILES

O=C(O)c1ccccc1-c1ccccc1

Molecular Weight¹

198.22

Other Names

• 2-Biphenylcarboxylic acid
• 2-Phenylbenzoic acid
• Biphenyl-2-carboxylic acid
• Biphenylcarboxylic acid-(2)
• Diphenyl-2-carboxylic acid
• [1,1'-Biphenyl]-2-carboxylic acid
• o-Phenylbenzoic acid

• ω : Acentric Factor.
• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• 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_boilr : Boiling point at reduced pressure (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	0.7137		Relay (1.0) Calculated Property
ΔcH°solid	-6195.70 ± 6.30	kJ/mol	NIST
ΔfG°	-70.14	kJ/mol	Joback Calculated Property
ΔfH°gas	-188.90	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	27.26	kJ/mol	Joback Calculated Property
ΔsubH°	121.30 ± 4.30	kJ/mol	NIST
ΔvapH°	100.10	kJ/mol	Relay (1.0) Calculated Property
IE	8.44	eV	Relay (1.0) Calculated Property
log10WS	-3.19		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	[616.50; 616.70]	K
Tboil	616.70	K	NIST
Tboil	616.50 ± 0.50	K	NIST
Tc	902.05	K	Relay (1.0) Calculated Property
Tfus	[382.00; 387.45]	K
Tfus	387.45	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	387.00	K	NIST
Tfus	382.00 ± 3.00	K	NIST
Tfus	384.00 ± 3.00	K	NIST
Vc	0.555	m3/kmol	Relay (1.0) Calculated Property

Pressure Dependent Properties

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	[0.0023557; 0.0001840]	Pa×s	[385.11; 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.			385.11
Temperature range, max.			667.87
η	0.0023557	Pa×s	385.11	Calculated Property
η	0.0014958	Pa×s	416.53	Calculated Property
η	0.0010122	Pa×s	447.95	Calculated Property
η	0.0007210	Pa×s	479.36	Calculated Property
η	0.0005354	Pa×s	510.78	Calculated Property
η	0.0004116	Pa×s	542.20	Calculated Property
η	0.0003256	Pa×s	573.62	Calculated Property
η	0.0002640	Pa×s	605.03	Calculated Property
η	0.0002185	Pa×s	636.45	Calculated Property
η	0.0001840	Pa×s	667.87	Calculated Property

Similar Compounds

Find more compounds similar to 1,1'-BIPHENYL, 2-CARBOXY 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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