Chemical Properties of 2,2'-Biphenol, 3,3',5,5'-tetrakis(1,1-dimethylethyl)- (CAS 6390-69-8)

InChI

InChI=1S/C28H42O2/c1-25(2,3)17-13-19(23(29)21(15-17)27(7,8)9)20-14-18(26(4,5)6)16-22(24(20)30)28(10,11)12/h13-16,29-30H,1-12H3

InChI Key

GDGDLBOVIAWEAD-UHFFFAOYSA-N

Formula

C28H42O2

SMILES

CC(C)(C)c1cc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1

Molecular Weight¹

410.63

CAS

6390-69-8

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point 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 Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l 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	[523.09; 1265.37]	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			-1.48910e+02
Coefficient B			3.08064e+00
Coefficient C			-2.49356e-03
Coefficient D			8.27200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	523.09	J/mol×K	273.00	Calculated Property
Cp,gas	665.49	J/mol×K	353.78	Calculated Property
Cp,gas	786.80	J/mol×K	434.56	Calculated Property
Cp,gas	889.64	J/mol×K	515.33	Calculated Property
Cp,gas	976.63	J/mol×K	596.11	Calculated Property
Cp,gas	1050.39	J/mol×K	676.89	Calculated Property
Cp,gas	1113.52	J/mol×K	757.67	Calculated Property
Cp,gas	1168.66	J/mol×K	838.44	Calculated Property
Cp,gas	1218.40	J/mol×K	919.22	Calculated Property
Cp,gas	1265.37	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0000004; 3.5404201e-08]	Pa×s	[741.36; 919.38]	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			-2.67243e+01
Coefficient B			8.79644e+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.			741.36
Temperature range, max.			919.38
η	0.0000004	Pa×s	741.36	Calculated Property
η	0.0000003	Pa×s	761.14	Calculated Property
η	0.0000002	Pa×s	780.92	Calculated Property
η	0.0000001	Pa×s	800.70	Calculated Property
η	0.0000001	Pa×s	820.48	Calculated Property
η	8.7158740e-08	Pa×s	840.26	Calculated Property
η	6.8509090e-08	Pa×s	860.04	Calculated Property
η	5.4436085e-08	Pa×s	879.82	Calculated Property
η	4.3693506e-08	Pa×s	899.60	Calculated Property
η	3.5404201e-08	Pa×s	919.38	Calculated Property

Similar Compounds

Find more compounds similar to 2,2'-Biphenol, 3,3',5,5'-tetrakis(1,1-dimethylethyl)-.

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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