Chemical Properties of 4-Tert-butylbiphenyl

InChI

InChI=1S/C16H18/c1-16(2,3)15-11-9-14(10-12-15)13-7-5-4-6-8-13/h4-12H,1-3H3

InChI Key

CDOYZTOFTGTGBC-UHFFFAOYSA-N

Formula

C16H18

SMILES

CC(C)(C)c1ccc(-c2ccccc2)cc1

Molecular Weight¹

210.32

Other Names

• 1,1'-biphenyl, 4-(1,1-dimethylethyl)-
• 4-(1,1-dimethylethyl)-1,1'-biphenyl
• biphenyl, 4-tert-butyl-
• p-tert-butylbiphenyl
• p-tert-butyldiphenyl

• 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_subH° : Enthalpy of sublimation 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

Property	Value	Unit	Source
ω	0.4137		Relay (1.0) Calculated Property
ΔfG°	301.87	kJ/mol	Joback Calculated Property
ΔfH°gas	84.67	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	19.87	kJ/mol	The heat capacities and thermodynamic functions of 4-methylbiphenyl and 4-tert-butylbiphenyl
ΔsubH°	98.10 ± 2.10	kJ/mol	NIST
ΔvapH°	80.00 ± 1.90	kJ/mol	NIST
IE	8.18	eV	Relay (1.0) Calculated Property
log10WS	-6.24		Relay (1.0) Calculated Property
logPoct/wat	4.651		Crippen Calculated Property
McVol	188.780	ml/mol	McGowan Calculated Property
Pc	2293.71	kPa	Joback Calculated Property
Tboil	[557.00; 585.39]	K
Tboil	585.39	K	Vapour pressures and enthalpies of vaporization of a series of the alkylbiphenyls
Tboil	583.00 ± 4.00	K	NIST
Tboil	557.00 ± 7.00	K	NIST
Tc	797.70	K	Relay (1.0) Calculated Property
Tfus	[324.00; 330.00]	K
Tfus	324.70	K	Thermochemical studies of 4-tert-butylbiphenyl and 4,40-di-tert-butylbiphenyl
Tfus	325.00 ± 4.00	K	NIST
Tfus	325.00 ± 4.00	K	NIST
Tfus	324.00 ± 4.00	K	NIST
Tfus	325.00 ± 5.00	K	NIST
Tfus	Outlier 330.00 ± 3.00	K	NIST
Tfus	325.40 ± 3.00	K	NIST
Tfus	325.00 ± 4.00	K	NIST
Tfus	325.30 ± 1.50	K	NIST
Vc	0.697	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[231.48; 606.16]	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			-8.96400e+01
Coefficient B			1.43236e+00
Coefficient C			-1.01376e-03
Coefficient D			2.77200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	231.48	J/mol×K	273.00	Calculated Property
Cp,gas	302.49	J/mol×K	353.78	Calculated Property
Cp,gas	364.11	J/mol×K	434.56	Calculated Property
Cp,gas	417.22	J/mol×K	515.33	Calculated Property
Cp,gas	462.69	J/mol×K	596.11	Calculated Property
Cp,gas	501.40	J/mol×K	676.89	Calculated Property
Cp,gas	534.22	J/mol×K	757.67	Calculated Property
Cp,gas	562.04	J/mol×K	838.44	Calculated Property
Cp,gas	585.73	J/mol×K	919.22	Calculated Property
Cp,gas	606.16	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0027256; 0.0001409]	Pa×s	[324.93; 606.54]	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			-1.22854e+01
Coefficient B			2.07312e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			324.93
Temperature range, max.			606.54
η	0.0027256	Pa×s	324.93	Calculated Property
η	0.0015562	Pa×s	356.22	Calculated Property
η	0.0009727	Pa×s	387.51	Calculated Property
η	0.0006522	Pa×s	418.80	Calculated Property
η	0.0004623	Pa×s	450.09	Calculated Property
η	0.0003427	Pa×s	481.38	Calculated Property
η	0.0002635	Pa×s	512.67	Calculated Property
η	0.0002088	Pa×s	543.96	Calculated Property
η	0.0001697	Pa×s	575.25	Calculated Property
η	0.0001409	Pa×s	606.54	Calculated Property

Similar Compounds

Find more compounds similar to 4-Tert-butylbiphenyl.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Vapour pressures and enthalpies of vaporization of a series of the alkylbiphenyls
• Thermochemical studies of 4-tert-butylbiphenyl and 4,40-di-tert-butylbiphenyl
• The heat capacities and thermodynamic functions of 4-methylbiphenyl and 4-tert-butylbiphenyl
• Joback Method
• McGowan Method
• NIST Webbook

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