Chemical Properties of [1,1'-Biphenyl]-2,2'-diol (CAS 1806-29-7)

InChI

InChI=1S/C12H10O2/c13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14/h1-8,13-14H

InChI Key

IMHDGJOMLMDPJN-UHFFFAOYSA-N

Formula

C12H10O2

SMILES

Oc1ccccc1-c1ccccc1O

Molecular Weight¹

186.21

CAS

1806-29-7

Other Names

• 2,2'-Biphenol
• 2,2'-Biphenyldiol
• 2,2'-Bisphenol
• 2,2'-Dihydroxy-1,1'-biphenyl
• 2,2'-Dihydroxybiphenyl
• 2,2'-Dihydroxydiphenyl
• Biphenyl, 2,2'-dihydroxy
• Biphenyl-2,2'-diol
• NSC 37068
• O,O'-biphenylol
• o,o'-Biphenol
• o,o'-Dihydroxybiphenyl
• o,o'-Diphenol
• o-Dihydroxydiphenyl

• 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_fusH : Enthalpy of fusion at a given temperature (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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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).
• I_np : Non-polar retention indices.
• 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	0.6704		Relay (1.0) Calculated Property
ΔfG°	-34.26	kJ/mol	Joback Calculated Property
ΔfH°gas	-158.22	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	26.48	kJ/mol	Joback Calculated Property
ΔsubH°	114.40 ± 1.20	kJ/mol	NIST
ΔvapH°	99.60	kJ/mol	Relay (1.0) Calculated Property
IE	7.71	eV	Relay (1.0) Calculated Property
log10WS	-2.67		Relay (1.0) Calculated Property
logPoct/wat	2.765		Crippen Calculated Property
McVol	144.160	ml/mol	McGowan Calculated Property
Pc	5029.93	kPa	Joback Calculated Property
Inp	[1655.00; 1667.00]
Inp	1655.00		NIST
Inp	1667.00		NIST
Inp	1662.00		NIST
Tboil	588.20	K	NIST
Tc	882.91	K	Relay (1.0) Calculated Property
Tfus	382.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Vc	0.497	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[179.31; 446.21]	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			-9.36700e+01
Coefficient B			1.29520e+00
Coefficient C			-1.20412e-03
Coefficient D			4.48800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	179.31	J/mol×K	273.00	Calculated Property
Cp,gas	233.71	J/mol×K	353.78	Calculated Property
Cp,gas	278.61	J/mol×K	434.56	Calculated Property
Cp,gas	315.43	J/mol×K	515.33	Calculated Property
Cp,gas	345.60	J/mol×K	596.11	Calculated Property
Cp,gas	370.52	J/mol×K	676.89	Calculated Property
Cp,gas	391.63	J/mol×K	757.67	Calculated Property
Cp,gas	410.33	J/mol×K	838.44	Calculated Property
Cp,gas	428.05	J/mol×K	919.22	Calculated Property
Cp,gas	446.21	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0041845; 0.0000027]	Pa×s	[382.15; 669.95]	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			-2.25711e+01
Coefficient B			6.53276e+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.			382.15
Temperature range, max.			669.95
η	0.0041845	Pa×s	382.15	Calculated Property
η	0.0011178	Pa×s	414.13	Calculated Property
η	0.0003608	Pa×s	446.11	Calculated Property
η	0.0001355	Pa×s	478.08	Calculated Property
η	0.0000575	Pa×s	510.06	Calculated Property
η	0.0000270	Pa×s	542.04	Calculated Property
η	0.0000138	Pa×s	574.02	Calculated Property
η	0.0000076	Pa×s	606.00	Calculated Property
η	0.0000044	Pa×s	637.98	Calculated Property
η	0.0000027	Pa×s	669.95	Calculated Property

Similar Compounds

Find more compounds similar to [1,1'-Biphenyl]-2,2'-diol.

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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