Chemical Properties of [1,1'-Biphenyl]-2-ol, 3-chloro-

InChI

InChI=1S/C12H9ClO/c13-11-8-4-7-10(12(11)14)9-5-2-1-3-6-9/h1-8,14H

InChI Key

XBILVINOJVKEHG-UHFFFAOYSA-N

Formula

C12H9ClO

SMILES

Oc1c(Cl)cccc1-c1ccccc1

Molecular Weight¹

204.66

Other Names

• 2-Biphenylol, 3-chloro-
• 2-Chloro-6-phenylphenol
• 2-Hydroxy-3-chlorobiphenyl
• 2-Phenyl-6-chlorophenol
• 3-Chloro-(1,1'-biphenyl)-2-ol
• 3-Chloro-2-biphenylol
• 3-Chlorobiphenyl-2-ol
• 6-Chloro-2-phenylphenol
• Dowcide 31
• Dowcide 32
• NSC 2600
• Phenol, 2-chloro-6-phenyl-

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• 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).
• P_vap : Vapor 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	0.5483		Relay (1.0) Calculated Property
ΔfH°gas	-22.06	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	24.51	kJ/mol	Joback Calculated Property
ΔvapH°	83.74	kJ/mol	Relay (1.0) Calculated Property
IE	7.91	eV	Relay (1.0) Calculated Property
log10WS	-3.48		Relay (1.0) Calculated Property
logPoct/wat	3.713		Crippen Calculated Property
McVol	150.530	ml/mol	McGowan Calculated Property
Pc	3853.09	kPa	Joback Calculated Property
Inp	[1691.00; 1691.00]
Inp	1691.00		NIST
Inp	1691.00		NIST
Tboil	559.12	K	Relay (1.0) Calculated Property
Tc	869.69	K	Relay (1.0) Calculated Property
Tfus	279.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Vc	0.528	m3/kmol	Relay (1.0) Calculated Property

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Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[178.38; 429.02]	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			-5.75600e+01
Coefficient B			1.08790e+00
Coefficient C			-9.01120e-04
Coefficient D			2.99800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	178.38	J/mol×K	273.00	Calculated Property
Cp,gas	227.81	J/mol×K	353.78	Calculated Property
Cp,gas	269.63	J/mol×K	434.56	Calculated Property
Cp,gas	304.79	J/mol×K	515.33	Calculated Property
Cp,gas	334.24	J/mol×K	596.11	Calculated Property
Cp,gas	358.93	J/mol×K	676.89	Calculated Property
Cp,gas	379.81	J/mol×K	757.67	Calculated Property
Cp,gas	397.81	J/mol×K	838.44	Calculated Property
Cp,gas	413.90	J/mol×K	919.22	Calculated Property
Cp,gas	429.02	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.1169756; 0.0000272]	Pa×s	[279.15; 640.44]	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			-1.69767e+01
Coefficient B			4.14004e+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.			279.15
Temperature range, max.			640.44
η	0.1169756	Pa×s	279.15	Calculated Property
η	0.0181260	Pa×s	319.29	Calculated Property
η	0.0042598	Pa×s	359.44	Calculated Property
η	0.0013392	Pa×s	399.58	Calculated Property
η	0.0005201	Pa×s	439.72	Calculated Property
η	0.0002366	Pa×s	479.87	Calculated Property
η	0.0001215	Pa×s	520.01	Calculated Property
η	0.0000687	Pa×s	560.15	Calculated Property
η	0.0000419	Pa×s	600.30	Calculated Property
η	0.0000272	Pa×s	640.44	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[0.13; 101.00]	kPa	[393.00; 590.00]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.68850e+01
Coefficient B			-6.88607e+03
Coefficient C			-2.87840e+01
Reference			Stull, 1947
Comment			Coefficents calculated by NIST from author's data.
Temperature range, min.			393.00
Temperature range, max.			590.00
Pvap	0.13	kPa	393.00	Calculated Property
Pvap	0.39	kPa	414.89	Calculated Property
Pvap	1.01	kPa	436.78	Calculated Property
Pvap	2.38	kPa	458.67	Calculated Property
Pvap	5.17	kPa	480.56	Calculated Property
Pvap	10.45	kPa	502.44	Calculated Property
Pvap	19.87	kPa	524.33	Calculated Property
Pvap	35.77	kPa	546.22	Calculated Property
Pvap	61.38	kPa	568.11	Calculated Property
Pvap	101.00	kPa	590.00	Calculated Property

Similar Compounds

Find more compounds similar to [1,1'-Biphenyl]-2-ol, 3-chloro-.

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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