Chemical Properties of 2,2',6,6'-Tetramethyl-p,p'-biphenol (CAS 2417-04-1)

InChI

InChI=1S/C16H18O2/c1-9-5-13(6-10(2)15(9)17)14-7-11(3)16(18)12(4)8-14/h5-8,17-18H,1-4H3

InChI Key

YGYPMFPGZQPETF-UHFFFAOYSA-N

Formula

C16H18O2

SMILES

Cc1cc(-c2cc(C)c(O)c(C)c2)cc(C)c1O

Molecular Weight¹

242.31

CAS

2417-04-1

Other Names

• 3,3',5,5'-Tetramethylbiphenyl-4,4'-diol
• [1,1'-Biphenyl]-4,4'-diol, 3,3',5,5'-tetramethyl-

• 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).
• 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).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[274.37; 640.41]	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			-4.01100e+01
Coefficient B			1.43728e+00
Coefficient C			-1.15356e-03
Coefficient D			3.96800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	274.37	J/mol×K	273.00	Calculated Property
Cp,gas	341.56	J/mol×K	353.78	Calculated Property
Cp,gas	399.19	J/mol×K	434.56	Calculated Property
Cp,gas	448.52	J/mol×K	515.33	Calculated Property
Cp,gas	490.81	J/mol×K	596.11	Calculated Property
Cp,gas	527.29	J/mol×K	676.89	Calculated Property
Cp,gas	559.24	J/mol×K	757.67	Calculated Property
Cp,gas	587.91	J/mol×K	838.44	Calculated Property
Cp,gas	614.55	J/mol×K	919.22	Calculated Property
Cp,gas	640.41	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0000103; 0.0000013]	Pa×s	[596.44; 733.66]	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			-2.27277e+01
Coefficient B			6.70436e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			596.44
Temperature range, max.			733.66
η	0.0000103	Pa×s	596.44	Calculated Property
η	0.0000078	Pa×s	611.69	Calculated Property
η	0.0000059	Pa×s	626.93	Calculated Property
η	0.0000046	Pa×s	642.18	Calculated Property
η	0.0000036	Pa×s	657.42	Calculated Property
η	0.0000029	Pa×s	672.67	Calculated Property
η	0.0000023	Pa×s	687.92	Calculated Property
η	0.0000019	Pa×s	703.16	Calculated Property
η	0.0000015	Pa×s	718.41	Calculated Property
η	0.0000013	Pa×s	733.66	Calculated Property

Similar Compounds

Find more compounds similar to 2,2',6,6'-Tetramethyl-p,p'-biphenol.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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