Chemical Properties of Phenol, 4,4'-isopropylidene bis(2-tert-butyl)- (CAS 79-96-9)

InChI

InChI=1S/C23H32O2/c1-21(2,3)17-13-15(9-11-19(17)24)23(7,8)16-10-12-20(25)18(14-16)22(4,5)6/h9-14,24-25H,1-8H3

InChI Key

ZDRSNHRWLQQICP-UHFFFAOYSA-N

Formula

C23H32O2

SMILES

CC(C)(C)c1cc(C(C)(C)c2ccc(O)c(C(C)(C)C)c2)ccc1O

Molecular Weight¹

340.50

CAS

79-96-9

Other Names

• 4,4'-isopropylidenebis(o-tert-butylphenol)

• 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).
• P_c : Critical Pressure (kPa).
• 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 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	[413.38; 1012.03]	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			-1.48490e+02
Coefficient B			2.59876e+00
Coefficient C			-2.18384e-03
Coefficient D			7.45600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	413.38	J/mol×K	273.00	Calculated Property
Cp,gas	530.58	J/mol×K	353.78	Calculated Property
Cp,gas	629.61	J/mol×K	434.56	Calculated Property
Cp,gas	712.82	J/mol×K	515.33	Calculated Property
Cp,gas	782.57	J/mol×K	596.11	Calculated Property
Cp,gas	841.23	J/mol×K	676.89	Calculated Property
Cp,gas	891.15	J/mol×K	757.67	Calculated Property
Cp,gas	934.68	J/mol×K	838.44	Calculated Property
Cp,gas	974.19	J/mol×K	919.22	Calculated Property
Cp,gas	1012.03	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0000020; 0.0000001]	Pa×s	[657.55; 834.54]	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			-2.55706e+01
Coefficient B			8.18762e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			657.55
Temperature range, max.			834.54
η	0.0000020	Pa×s	657.55	Calculated Property
η	0.0000014	Pa×s	677.22	Calculated Property
η	0.0000010	Pa×s	696.88	Calculated Property
η	0.0000007	Pa×s	716.55	Calculated Property
η	0.0000005	Pa×s	736.21	Calculated Property
η	0.0000004	Pa×s	755.88	Calculated Property
η	0.0000003	Pa×s	775.55	Calculated Property
η	0.0000002	Pa×s	795.21	Calculated Property
η	0.0000002	Pa×s	814.88	Calculated Property
η	0.0000001	Pa×s	834.54	Calculated Property

Similar Compounds

Find more compounds similar to Phenol, 4,4'-isopropylidene bis(2-tert-butyl)-.

Sources

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

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