Chemical Properties of 3,3'-Di-tert-butylbiphenyl

InChI

InChI=1S/C20H26/c1-19(2,3)17-11-7-9-15(13-17)16-10-8-12-18(14-16)20(4,5)6/h7-14H,1-6H3

InChI Key

VBEKOHMKJMZVGZ-UHFFFAOYSA-N

Formula

C20H26

SMILES

CC(C)(C)c1cccc(-c2cccc(C(C)(C)C)c2)c1

Molecular Weight¹

266.43

• ω : Acentric Factor.
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[317.43; 810.95]	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			-1.03450e+02
Coefficient B			1.87872e+00
Coefficient C			-1.33612e-03
Coefficient D			3.71800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	317.43	J/mol×K	273.00	Calculated Property
Cp,gas	410.44	J/mol×K	353.78	Calculated Property
Cp,gas	491.16	J/mol×K	434.56	Calculated Property
Cp,gas	560.77	J/mol×K	515.33	Calculated Property
Cp,gas	620.45	J/mol×K	596.11	Calculated Property
Cp,gas	671.36	J/mol×K	676.89	Calculated Property
Cp,gas	714.69	J/mol×K	757.67	Calculated Property
Cp,gas	751.62	J/mol×K	838.44	Calculated Property
Cp,gas	783.31	J/mol×K	919.22	Calculated Property
Cp,gas	810.95	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0012913; 0.0000884]	Pa×s	[397.88; 667.95]	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			-1.32849e+01
Coefficient B			2.63904e+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.			397.88
Temperature range, max.			667.95
η	0.0012913	Pa×s	397.88	Calculated Property
η	0.0008110	Pa×s	427.89	Calculated Property
η	0.0005413	Pa×s	457.90	Calculated Property
η	0.0003798	Pa×s	487.90	Calculated Property
η	0.0002776	Pa×s	517.91	Calculated Property
η	0.0002100	Pa×s	547.92	Calculated Property
η	0.0001635	Pa×s	577.93	Calculated Property
η	0.0001305	Pa×s	607.94	Calculated Property
η	0.0001064	Pa×s	637.94	Calculated Property
η	0.0000884	Pa×s	667.95	Calculated Property

Similar Compounds

Find more compounds similar to 3,3'-Di-tert-butylbiphenyl.

Sources

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

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