Chemical Properties of [1,1'-Biphenyl]-4-ol, 3,5-bis(1,1-dimethylethyl)- (CAS 2668-47-5)

InChI

InChI=1S/C20H26O/c1-19(2,3)16-12-15(14-10-8-7-9-11-14)13-17(18(16)21)20(4,5)6/h7-13,21H,1-6H3

InChI Key

JIEWQZNTUPWNMX-UHFFFAOYSA-N

Formula

C20H26O

SMILES

CC(C)(C)c1cc(-c2ccccc2)cc(C(C)(C)C)c1O

Molecular Weight¹

282.42

CAS

2668-47-5

Other Names

• 2,6-Bis(1,1-dimethylethyl)-4-phenylphenol
• 2,6-di-tert-butyl-4-phenylphenol

• ω : Acentric Factor.
• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• 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_fH°_solid : Solid phase 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	0.6814		Relay (1.0) Calculated Property
ΔcH°solid	-11280.00	kJ/mol	NIST
ΔfG°	174.14	kJ/mol	Joback Calculated Property
ΔfH°gas	-156.80	kJ/mol	NIST
ΔfH°solid	-300.00	kJ/mol	NIST
ΔfusH°	25.82	kJ/mol	Joback Calculated Property
ΔsubH°	[143.20; 144.40]	kJ/mol
ΔsubH°	144.40	kJ/mol	NIST
ΔsubH°	143.20	kJ/mol	NIST
ΔvapH°	107.66	kJ/mol	Relay (1.0) Calculated Property
IE	7.63	eV	Relay (1.0) Calculated Property
log10WS	-6.04		Relay (1.0) Calculated Property
logPoct/wat	5.654		Crippen Calculated Property
McVol	251.010	ml/mol	McGowan Calculated Property
Pc	1859.51	kPa	Joback Calculated Property
Tboil	617.61	K	Relay (1.0) Calculated Property
Tc	884.57	K	Relay (1.0) Calculated Property
Tfus	406.50	K	Relay (1.0) Calculated Property
Vc	0.915	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[751.09; 848.17]	J/mol×K	[794.48; 1041.03]
Cp,gas	751.09	J/mol×K	794.48	Joback Calculated Property
Cp,gas	769.33	J/mol×K	835.57	Joback Calculated Property
Cp,gas	786.46	J/mol×K	876.66	Joback Calculated Property
Cp,gas	802.70	J/mol×K	917.75	Joback Calculated Property
Cp,gas	818.26	J/mol×K	958.85	Joback Calculated Property
Cp,gas	833.35	J/mol×K	999.94	Joback Calculated Property
Cp,gas	848.17	J/mol×K	1041.03	Joback Calculated Property
η	[0.0000039; 0.0001482]	Pa×s	[509.60; 794.48]
η	0.0001482	Pa×s	509.60	Joback Calculated Property
η	0.0000626	Pa×s	557.08	Joback Calculated Property
η	0.0000303	Pa×s	604.56	Joback Calculated Property
η	0.0000163	Pa×s	652.04	Joback Calculated Property
η	0.0000095	Pa×s	699.52	Joback Calculated Property
η	0.0000060	Pa×s	747.00	Joback Calculated Property
η	0.0000039	Pa×s	794.48	Joback Calculated Property

Similar Compounds

Find more compounds similar to [1,1'-Biphenyl]-4-ol, 3,5-bis(1,1-dimethylethyl)-.

Sources

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

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