Chemical Properties of 4-Phenylpyrocatechol (CAS 92-05-7)

InChI

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

InChI Key

QDNPCYCBQFHNJC-UHFFFAOYSA-N

Formula

C12H10O2

SMILES

Oc1ccc(-c2ccccc2)cc1O

Molecular Weight¹

186.21

CAS

92-05-7

Other Names

• 1,2-Benzenediol, 4-phenyl-
• 3,4-Biphenyldiol
• 3,4-Dihydroxybiphenyl
• 4-Phenyl-1,2-benzenediol
• 4-Phenylcatechol
• Biphenyl, 3,4-dihydroxy
• [1,1'-Biphenyl]-3,4-diol
• biphenyl-3,4-diol

• 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_boilr : Boiling point at reduced pressure (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

Pressure 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	[0.0011896; 0.0000027]	Pa×s	[412.50; 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.			412.50
Temperature range, max.			669.95
η	0.0011896	Pa×s	412.50	Calculated Property
η	0.0004260	Pa×s	441.11	Calculated Property
η	0.0001728	Pa×s	469.71	Calculated Property
η	0.0000778	Pa×s	498.32	Calculated Property
η	0.0000382	Pa×s	526.92	Calculated Property
η	0.0000202	Pa×s	555.53	Calculated Property
η	0.0000113	Pa×s	584.14	Calculated Property
η	0.0000067	Pa×s	612.74	Calculated Property
η	0.0000042	Pa×s	641.35	Calculated Property
η	0.0000027	Pa×s	669.95	Calculated Property

Similar Compounds

Find more compounds similar to 4-Phenylpyrocatechol.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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