Chemical Properties of Phenol, 2,6-bis(1,1-dimethylethyl)- (CAS 128-39-2)

InChI

InChI=1S/C14H22O/c1-13(2,3)10-8-7-9-11(12(10)15)14(4,5)6/h7-9,15H,1-6H3

InChI Key

DKCPKDPYUFEZCP-UHFFFAOYSA-N

Formula

C14H22O

SMILES

CC(C)(C)c1cccc(C(C)(C)C)c1O

Molecular Weight¹

206.32

CAS

128-39-2

Other Names

• 2,6-(1,1-Dimethylethyl)phenol
• 2,6-Bis(1,1-dimethylethyl)phenol
• 2,6-Bis(t-butyl)phenol
• 2,6-Bis(tert-butyl)phenol
• 2,6-DTBP
• 2,6-Di-tert-butylphenol
• 2,6-di(1,1-dimethylethyl)phenol
• 2,6-di-t-Butylphenol
• AN 701
• Ethanox 701
• Ethyl 701
• Ethyl AN 701
• Hitec 4701
• Isonox 103
• NSC 49175
• Phenol, 2,4-di-tert.-butyl
• Phenol, 2,6-bis(t-butyl)
• Phenol, 2,6-di-tert-butyl-

• 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_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).
• 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).
• P_vap : Vapor pressure (kPa).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• 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
ΔcH°solid	-8280.00	kJ/mol	NIST
ΔfG°	20.84	kJ/mol	Joback Calculated Property
ΔfH°gas	-262.00	kJ/mol	NIST
ΔfH°solid	-370.00	kJ/mol	NIST
ΔfusH°	16.62	kJ/mol	Joback Calculated Property
ΔsubH°	[81.50; 110.90]	kJ/mol
ΔsubH°	81.50 ± 2.30	kJ/mol	NIST
ΔsubH°	84.60 ± 0.50	kJ/mol	NIST
ΔsubH°	110.90	kJ/mol	NIST
ΔsubH°	108.00	kJ/mol	NIST
ΔvapH°	66.00 ± 0.20	kJ/mol	NIST
IE	[7.70; 8.15]	eV
IE	7.70 ± 0.02	eV	NIST
IE	8.15	eV	NIST
log10WS	-3.65		Crippen Calculated Property
logPoct/wat	3.987		Crippen Calculated Property
McVol	190.230	ml/mol	McGowan Calculated Property
Pc	2358.78	kPa	Joback Calculated Property
Inp	[1433.60; 1444.00]
Inp	1433.60		NIST
Inp	1440.10		NIST
Inp	1443.20		NIST
Inp	1433.60		NIST
Inp	1440.10		NIST
Inp	1443.20		NIST
Inp	1444.00		NIST
Inp	1433.60		NIST
Inp	1443.20		NIST
I	[2327.00; 2327.00]
I	2327.00		NIST
I	2327.00		NIST
Tboil	526.20	K	NIST
Tc	855.78	K	Joback Calculated Property
Tfus	[310.50; 311.00]	K
Tfus	311.00 ± 0.20	K	NIST
Tfus	310.50 ± 0.50	K	NIST
Vc	0.655	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[511.15; 601.25]	J/mol×K	[625.54; 855.78]
Cp,gas	511.15	J/mol×K	625.54	Joback Calculated Property
Cp,gas	528.92	J/mol×K	663.91	Joback Calculated Property
Cp,gas	545.39	J/mol×K	702.29	Joback Calculated Property
Cp,gas	560.71	J/mol×K	740.66	Joback Calculated Property
Cp,gas	575.03	J/mol×K	779.03	Joback Calculated Property
Cp,gas	588.49	J/mol×K	817.41	Joback Calculated Property
Cp,gas	601.25	J/mol×K	855.78	Joback Calculated Property
η	[0.0000185; 0.0010791]	Pa×s	[403.04; 625.54]
η	0.0010791	Pa×s	403.04	Joback Calculated Property
η	0.0004121	Pa×s	440.12	Joback Calculated Property
η	0.0001828	Pa×s	477.21	Joback Calculated Property
η	0.0000911	Pa×s	514.29	Joback Calculated Property
η	0.0000499	Pa×s	551.37	Joback Calculated Property
η	0.0000295	Pa×s	588.46	Joback Calculated Property
η	0.0000185	Pa×s	625.54	Joback Calculated Property
ΔfusH	[16.57; 16.57]	kJ/mol	[310.70; 310.70]
ΔfusH	16.57	kJ/mol	310.70	NIST
ΔfusH	16.57	kJ/mol	310.70	NIST
ΔvapH	[60.40; 63.50]	kJ/mol	[340.50; 458.00]
ΔvapH	63.50 ± 0.20	kJ/mol	340.50	NIST
ΔvapH	60.40	kJ/mol	458.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[402.25; 594.02]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.35468e+01
Coefficient B			-4.16824e+03
Coefficient C			-8.78810e+01
Temperature range, min.			402.25
Temperature range, max.			594.02
Pvap	1.33	kPa	402.25	Calculated Property
Pvap	3.09	kPa	423.56	Calculated Property
Pvap	6.49	kPa	444.87	Calculated Property
Pvap	12.53	kPa	466.17	Calculated Property
Pvap	22.55	kPa	487.48	Calculated Property
Pvap	38.24	kPa	508.79	Calculated Property
Pvap	61.62	kPa	530.10	Calculated Property
Pvap	95.04	kPa	551.40	Calculated Property
Pvap	141.10	kPa	572.71	Calculated Property
Pvap	202.64	kPa	594.02	Calculated Property

Similar Compounds

Find more compounds similar to Phenol, 2,6-bis(1,1-dimethylethyl)-.

Sources

• Crippen Method
• Crippen Method
• Thermochemistry of Li, Na, K, Rb and Cs alkylated phenoxides
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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