Chemical Properties of 4,4'-di-tert-Butylbiphenyl (CAS 1625-91-8)

InChI

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

InChI Key

CDKCEZNPAYWORX-UHFFFAOYSA-N

Formula

C20H26

SMILES

CC(C)(C)c1ccc(-c2ccc(C(C)(C)C)cc2)cc1

Molecular Weight¹

266.42

CAS

1625-91-8

Other Names

• 1,1'-biphenyl, 4,4'-bis(1,1-dimethylethyl)-
• 4,4'-bis(1,1-dimethylethyl)-1,1'-biphenyl
• 4,4'-di-t-Butylbiphenyl
• 4,4'-di-tert-butyl-1,1'-biphenyl
• DBB
• biphenyl, 4,4'-di-tert-butyl-
• p,p'-di-tert-butylbiphenyl

• 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_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_subH° : Enthalpy of sublimation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• 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
ΔfG°	328.76	kJ/mol	Joback Calculated Property
ΔfH°gas	-23.51	kJ/mol	Joback Calculated Property
ΔfusH°	20.03	kJ/mol	Joback Calculated Property
ΔsubH°	106.80 ± 3.20	kJ/mol	NIST
ΔvapH°	86.20 ± 3.20	kJ/mol	NIST
log10WS	-6.70		Crippen Calculated Property
logPoct/wat	5.949		Crippen Calculated Property
McVol	245.140	ml/mol	McGowan Calculated Property
Pc	1641.76	kPa	Joback Calculated Property
Tboil	713.86	K	Joback Calculated Property
Tc	953.95	K	Joback Calculated Property
Tfus	[390.00; 402.00]	K
Tfus	400.80	K	Thermoc...
Tfus	392.00 ± 6.00	K	NIST
Tfus	390.00 ± 4.00	K	NIST
Tfus	402.00 ± 3.00	K	NIST
Tfus	395.00 ± 4.00	K	NIST
Vc	0.917	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[692.07; 795.62]	J/mol×K	[713.86; 953.95]
Cp,gas	692.07	J/mol×K	713.86	Joback Calculated Property
Cp,gas	712.81	J/mol×K	753.88	Joback Calculated Property
Cp,gas	731.98	J/mol×K	793.89	Joback Calculated Property
Cp,gas	749.69	J/mol×K	833.91	Joback Calculated Property
Cp,gas	766.11	J/mol×K	873.92	Joback Calculated Property
Cp,gas	781.38	J/mol×K	913.94	Joback Calculated Property
Cp,gas	795.62	J/mol×K	953.95	Joback Calculated Property
η	[0.0000685; 0.0012913]	Pa×s	[397.88; 713.86]
η	0.0012913	Pa×s	397.88	Joback Calculated Property
η	0.0005947	Pa×s	450.54	Joback Calculated Property
η	0.0003222	Pa×s	503.21	Joback Calculated Property
η	0.0001960	Pa×s	555.87	Joback Calculated Property
η	0.0001300	Pa×s	608.53	Joback Calculated Property
η	0.0000920	Pa×s	661.20	Joback Calculated Property
η	0.0000685	Pa×s	713.86	Joback Calculated Property
ΔfusH	[18.80; 20.00]	kJ/mol	[400.80; 402.00]
ΔfusH	20.00	kJ/mol	400.80	NIST
ΔfusH	18.80	kJ/mol	402.00	NIST
ΔvapH	108.63	kJ/mol	298.15	Vapour ...

Similar Compounds

Find more compounds similar to 4,4'-di-tert-Butylbiphenyl.

Sources

• 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
• Joback Method
• McGowan Method
• NIST Webbook

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