Chemical Properties of 4-Tert-butylbiphenyl (CAS 1625-92-9)

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

210.31

CAS

1625-92-9

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	795.94	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

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[475.09; 570.60]	J/mol×K	[620.59; 866.21]
Cp,gas	475.09	J/mol×K	620.59	Joback Calculated Property
Cp,gas	494.51	J/mol×K	661.53	Joback Calculated Property
Cp,gas	512.38	J/mol×K	702.46	Joback Calculated Property
Cp,gas	528.81	J/mol×K	743.40	Joback Calculated Property
Cp,gas	543.92	J/mol×K	784.34	Joback Calculated Property
Cp,gas	557.81	J/mol×K	825.27	Joback Calculated Property
Cp,gas	570.60	J/mol×K	866.21	Joback Calculated Property
η	[0.0001304; 0.0021349]	Pa×s	[337.86; 620.59]
η	0.0021349	Pa×s	337.86	Joback Calculated Property
η	0.0010074	Pa×s	384.98	Joback Calculated Property
η	0.0005600	Pa×s	432.10	Joback Calculated Property
η	0.0003494	Pa×s	479.23	Joback Calculated Property
η	0.0002372	Pa×s	526.35	Joback Calculated Property
η	0.0001716	Pa×s	573.47	Joback Calculated Property
η	0.0001304	Pa×s	620.59	Joback 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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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.