Chemical Properties of [1,1'-Biphenyl]-2-ol, 3-(1,1-dimethylethyl)- (CAS 2416-98-0)

InChI

InChI=1S/C16H18O/c1-16(2,3)14-11-7-10-13(15(14)17)12-8-5-4-6-9-12/h4-11,17H,1-3H3

InChI Key

HXVMQDBXJZKLEV-UHFFFAOYSA-N

Formula

C16H18O

SMILES

CC(C)(C)c1cccc(-c2ccccc2)c1O

Molecular Weight¹

226.31

CAS

2416-98-0

Other Names

• 2-Biphenylol, 3-tert-butyl-
• 2-tert-Butyl-6-Phenylphenol
• Phenol, 2-tert-butyl-6-phenyl-
• 3-Tert-butyl[1,1'-biphenyl]-2-ol
• 3-(1,1-dimethylethyl)[1,1'-biphenyl]-2-ol

• ω : Acentric Factor.
• Δ_cH°_liquid : Standard liquid 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°_liquid : Liquid phase 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

Property	Value	Unit	Source
ω	0.5986		Relay (... Calculated Property
ΔcH°liquid	-8704.40	kJ/mol	NIST
ΔfG°	147.25	kJ/mol	Joback Calculated Property
ΔfH°gas	-57.03	kJ/mol	NIST
ΔfH°liquid	-164.00	kJ/mol	NIST
ΔfusH°	23.26	kJ/mol	Joback Calculated Property
ΔvapH°	[107.00; 107.20]	kJ/mol
ΔvapH°	107.20	kJ/mol	NIST
ΔvapH°	107.00	kJ/mol	NIST
IE	7.70	eV	Relay (... Calculated Property
log10WS	-4.67		Relay (... Calculated Property
logPoct/wat	4.357		Crippen Calculated Property
McVol	194.650	ml/mol	McGowan Calculated Property
Pc	2659.77	kPa	Joback Calculated Property
Tboil	591.21	K	Relay (... Calculated Property
Tc	854.84	K	Relay (... Calculated Property
Tfus	347.55	K	Relay (... Calculated Property
Vc	0.689	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[531.18; 615.84]	J/mol×K	[701.21; 954.53]
Cp,gas	531.18	J/mol×K	701.21	Joback Calculated Property
Cp,gas	547.84	J/mol×K	743.43	Joback Calculated Property
Cp,gas	563.23	J/mol×K	785.65	Joback Calculated Property
Cp,gas	577.54	J/mol×K	827.87	Joback Calculated Property
Cp,gas	590.95	J/mol×K	870.09	Joback Calculated Property
Cp,gas	603.66	J/mol×K	912.31	Joback Calculated Property
Cp,gas	615.84	J/mol×K	954.53	Joback Calculated Property
η	[0.0000115; 0.0004476]	Pa×s	[449.58; 701.21]
η	0.0004476	Pa×s	449.58	Joback Calculated Property
η	0.0001875	Pa×s	491.52	Joback Calculated Property
η	0.0000900	Pa×s	533.46	Joback Calculated Property
η	0.0000481	Pa×s	575.39	Joback Calculated Property
η	0.0000280	Pa×s	617.33	Joback Calculated Property
η	0.0000175	Pa×s	659.27	Joback Calculated Property
η	0.0000115	Pa×s	701.21	Joback Calculated Property

Similar Compounds

Find more compounds similar to [1,1'-Biphenyl]-2-ol, 3-(1,1-dimethylethyl)-.

Sources

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

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