Chemical Properties of 2-Chloro-4-phenylphenol (CAS 92-04-6)

InChI

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

InChI Key

BZWMYDJJDBFAPE-UHFFFAOYSA-N

Formula

C12H9ClO

SMILES

Oc1ccc(-c2ccccc2)cc1Cl

Molecular Weight¹

204.65

CAS

92-04-6

Other Names

• 2-Chloro-p-phenylphenol
• 3-Chlor-4-hydroxybifenyl
• 3-Chloro-4-biphenylol
• 3-Chloro-4-hydroxybiphenyl
• 3-Chloro-4-hydroxydiphenyl
• 3-chlorobiphenyl-4-ol
• 4-Biphenylol, 3-chloro-
• 4-Phenyl-2-chlorophenol
• Dowcide 4
• Dowicide 4
• NSC 3858
• Phenol, 2-chloro-4-phenyl-
• Sanidril
• [1,1'-Biphenyl]-4-ol, 3-chloro-
• o-Chloro-p-phenylphenol

• 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_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).
• 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	0.5511		Relay (1.0) Calculated Property
ΔfG°	98.80	kJ/mol	Joback Calculated Property
ΔfH°gas	-10.83	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	24.51	kJ/mol	Joback Calculated Property
ΔvapH°	83.92	kJ/mol	Relay (1.0) Calculated Property
IE	8.00	eV	Relay (1.0) Calculated Property
log10WS	-3.46		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	[1742.00; 1742.00]
Inp	1742.00		NIST
Inp	1742.00		NIST
Inp	1742.00		NIST
Tboil	574.40	K	Relay (1.0) Calculated Property
Tc	876.74	K	Relay (1.0) Calculated Property
Tfus	350.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Vc	0.528	m3/kmol	Relay (1.0) Calculated Property

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	[0.0057817; 0.0000272]	Pa×s	[350.15; 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.			350.15
Temperature range, max.			640.44
η	0.0057817	Pa×s	350.15	Calculated Property
η	0.0021328	Pa×s	382.40	Calculated Property
η	0.0009188	Pa×s	414.66	Calculated Property
η	0.0004470	Pa×s	446.91	Calculated Property
η	0.0002396	Pa×s	479.17	Calculated Property
η	0.0001389	Pa×s	511.42	Calculated Property
η	0.0000859	Pa×s	543.68	Calculated Property
η	0.0000561	Pa×s	575.93	Calculated Property
η	0.0000383	Pa×s	608.18	Calculated Property
η	0.0000272	Pa×s	640.44	Calculated Property

Similar Compounds

Find more compounds similar to 2-Chloro-4-phenylphenol.

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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