Chemical Properties of 3-Hydroxybiphenyl (CAS 580-51-8)

InChI

InChI=1S/C12H10O/c13-12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9,13H

InChI Key

UBXYXCRCOKCZIT-UHFFFAOYSA-N

Formula

C12H10O

SMILES

Oc1cccc(-c2ccccc2)c1

Molecular Weight¹

170.21

CAS

580-51-8

Other Names

• 3-Biphenylol
• 3-Hydroxydiphenyl
• 3-Phenylphenol
• Biphenyl-3-ol
• NSC 17588
• Phenol, m-phenyl-
• [1,1'-Biphenyl]-3-ol
• m-Hydroxybiphenyl
• m-Hydroxydiphenyl
• m-Phenylphenol

• 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_fH°_solid : Solid phase 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).
• 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	0.5525		Relay (1.0) Calculated Property
ΔcH°solid	-6063.00	kJ/mol	NIST
ΔfG°	120.36	kJ/mol	Joback Calculated Property
ΔfH°gas	21.00	kJ/mol	NIST
ΔfH°solid	-88.00	kJ/mol	NIST
ΔfusH°	20.70	kJ/mol	Joback Calculated Property
ΔsubH°	[109.00; 109.20]	kJ/mol
ΔsubH°	109.20	kJ/mol	NIST
ΔsubH°	109.00	kJ/mol	NIST
ΔvapH°	90.37	kJ/mol	Relay (1.0) Calculated Property
IE	7.98	eV	Relay (1.0) Calculated Property
log10WS	-2.73		Relay (1.0) Calculated Property
logPoct/wat	3.059		Crippen Calculated Property
McVol	138.290	ml/mol	McGowan Calculated Property
Pc	4114.41	kPa	Joback Calculated Property
Inp	[1677.00; 1709.00]
Inp	1677.00		NIST
Inp	1704.00		NIST
Inp	1709.00		NIST
Inp	1709.00		NIST
Inp	1677.00		NIST
Inp	1704.00		NIST
Tboil	588.08	K	Relay (1.0) Calculated Property
Tc	852.51	K	Relay (1.0) Calculated Property
Tfus	351.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Vc	0.486	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[162.42; 423.79]	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			-8.47500e+01
Coefficient B			1.14060e+00
Coefficient C			-9.47760e-04
Coefficient D			3.15700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	162.42	J/mol×K	273.00	Calculated Property
Cp,gas	214.13	J/mol×K	353.78	Calculated Property
Cp,gas	257.84	J/mol×K	434.56	Calculated Property
Cp,gas	294.55	J/mol×K	515.33	Calculated Property
Cp,gas	325.26	J/mol×K	596.11	Calculated Property
Cp,gas	350.98	J/mol×K	676.89	Calculated Property
Cp,gas	372.69	J/mol×K	757.67	Calculated Property
Cp,gas	391.39	J/mol×K	838.44	Calculated Property
Cp,gas	408.10	J/mol×K	919.22	Calculated Property
Cp,gas	423.79	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0040343; 0.0000320]	Pa×s	[351.15; 608.16]	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			-1.69610e+01
Coefficient B			4.01998e+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.			351.15
Temperature range, max.			608.16
η	0.0040343	Pa×s	351.15	Calculated Property
η	0.0017055	Pa×s	379.71	Calculated Property
η	0.0008133	Pa×s	408.26	Calculated Property
η	0.0004273	Pa×s	436.82	Calculated Property
η	0.0002429	Pa×s	465.38	Calculated Property
η	0.0001474	Pa×s	493.93	Calculated Property
η	0.0000945	Pa×s	522.49	Calculated Property
η	0.0000634	Pa×s	551.05	Calculated Property
η	0.0000443	Pa×s	579.60	Calculated Property
η	0.0000320	Pa×s	608.16	Calculated Property

Similar Compounds

Find more compounds similar to 3-Hydroxybiphenyl.

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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