Chemical Properties of p-Hydroxybiphenyl (CAS 92-69-3)

InChI

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

InChI Key

YXVFYQXJAXKLAK-UHFFFAOYSA-N

Formula

C12H10O

SMILES

Oc1ccc(-c2ccccc2)cc1

Molecular Weight¹

170.21

CAS

92-69-3

Other Names

• 1,1'-biphenyl-4-ol
• 1-hydroxy-4-phenylbenzene
• 4-Diphenylol
• 4-Hydroxy-1,1'-biphenyl
• 4-Hydroxydiphenyl
• 4-biphenylol
• 4-hydroxybiphenyl
• 4-phenylphenol
• NSC 1858
• Paraxenol
• Phenol, p-phenyl
• Tetrasin P 300
• Tetrosin P 300
• [1,1'-biphenyl]-4-ol
• biphenyl-4-ol
• p-Biphenylol
• p-Hydroxydiphenyl
• p-Xenol
• p-phenylphenol
• phenol, 4-phenyl-

• 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_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).
• 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	0.5553		Relay (1.0) Calculated Property
ΔcH°solid	-6067.00	kJ/mol	NIST
ΔfG°	120.36	kJ/mol	Joback Calculated Property
ΔfH°gas	35.70	kJ/mol	NIST
ΔfH°solid	-84.00	kJ/mol	NIST
ΔfusH°	20.70	kJ/mol	Joback Calculated Property
ΔsubH°	[109.80; 119.70]	kJ/mol
ΔsubH°	109.80 ± 1.00	kJ/mol	NIST
ΔsubH°	119.40	kJ/mol	NIST
ΔsubH°	119.70	kJ/mol	NIST
ΔvapH°	88.21	kJ/mol	Relay (1.0) Calculated Property
IE	7.78 ± 0.03	eV	NIST
log10WS	[-3.48; -3.48]
log10WS	-3.48		Aq. Solubility Prediction
log10WS	-3.48		Estimated Solubility
logPoct/wat	3.059		Crippen Calculated Property
McVol	138.290	ml/mol	McGowan Calculated Property
Pc	4114.41	kPa	Joback Calculated Property
Inp	[291.50; 1745.30]
Inp	1683.00		NIST
Inp	1713.00		NIST
Inp	1745.30		NIST
Inp	1708.00		NIST
Inp	1723.00		NIST
Inp	Outlier 291.50		NIST
Inp	1713.00		NIST
Inp	1683.00		NIST
Tboil	[579.50; 594.20]	K
Tboil	594.20	K	NIST
Tboil	579.50 ± 1.50	K	NIST
Tc	849.89	K	Relay (1.0) Calculated Property
Tfus	[437.15; 439.35]	K
Tfus	439.35	K	Aq. Solubility Prediction
Tfus	437.50 ± 0.50	K	NIST
Tfus	437.15 ± 1.00	K	NIST
Vc	0.486	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ΔfusH	31.59	kJ/mol	443.10	NIST
ΔsubH	[97.00; 106.60]	kJ/mol	[337.50; 350.50]
ΔsubH	97.00	kJ/mol	337.50	NIST
ΔsubH	106.60 ± 1.00	kJ/mol	350.50	NIST
ΔvapH	72.30	kJ/mol	515.50	NIST

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	[0.0004168; 0.0000320]	Pa×s	[438.00; 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
Temperature range, min.			438.00
Temperature range, max.			608.16
η	0.0004168	Pa×s	438.00	Calculated Property
η	0.0002851	Pa×s	456.91	Calculated Property
η	0.0002010	Pa×s	475.81	Calculated Property
η	0.0001455	Pa×s	494.72	Calculated Property
η	0.0001079	Pa×s	513.63	Calculated Property
η	0.0000817	Pa×s	532.53	Calculated Property
η	0.0000631	Pa×s	551.44	Calculated Property
η	0.0000495	Pa×s	570.35	Calculated Property
η	0.0000395	Pa×s	589.25	Calculated Property
η	0.0000320	Pa×s	608.16	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.32; 103.08]	kPa	[450.00; 581.00]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.91214e+01
Coefficient B			-8.21104e+03
Coefficient C			-1.41710e+01
Reference			von Terres, Gebert, et al., 1955
Temperature range, min.			450.00
Temperature range, max.			581.00
Pvap	1.32	kPa	450.00	Calculated Property
Pvap	2.44	kPa	464.56	Calculated Property
Pvap	4.31	kPa	479.11	Calculated Property
Pvap	7.37	kPa	493.67	Calculated Property
Pvap	12.20	kPa	508.22	Calculated Property
Pvap	19.63	kPa	522.78	Calculated Property
Pvap	30.77	kPa	537.33	Calculated Property
Pvap	47.05	kPa	551.89	Calculated Property
Pvap	70.37	kPa	566.44	Calculated Property
Pvap	103.08	kPa	581.00	Calculated Property

Similar Compounds

Find more compounds similar to p-Hydroxybiphenyl.

Mixtures

• p-Hydroxybiphenyl + Carbon dioxide
• p-Hydroxybiphenyl + Carbon dioxide + Phenol, 2,3,5-trimethyl-
• p-Hydroxybiphenyl + Carbon dioxide + Phenol, 2,4,6-trimethyl-

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Solubilities of Substituted Phenols in Supercritical Carbon Dioxide
• Joback Method
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook

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