Chemical Properties of Phenol, 4-(1,1-dimethylpropyl)- (CAS 80-46-6)

InChI

InChI=1S/C11H16O/c1-4-11(2,3)9-5-7-10(12)8-6-9/h5-8,12H,4H2,1-3H3

InChI Key

NRZWYNLTFLDQQX-UHFFFAOYSA-N

Formula

C11H16O

SMILES

CCC(C)(C)c1ccc(O)cc1

Molecular Weight¹

164.24

CAS

80-46-6

Other Names

• 1-Hydroxy-4-(1,1-dimethylpropyl)benzene
• 1-Hydroxy-4-(2-methyl-2-butyl)benzene
• 2-Methyl-2-p-hydroxyphenylbutane
• 4-(1,1-Dimethylpropyl)-1-phenol
• 4-(1,1-Dimethylpropyl)Phenol
• 4-t-Amylphenol
• 4-tert-Amylphenol
• 4-tert-Pentylphenol
• AMILFENOL
• Amilphenol
• Amyl phenol 4T
• NSC 403672
• Nipacide PTAP
• P-(ALPHA,ALPHA-DIMETHYLPROPYL)PHENOL
• P-TERT-AMYLPHENOL
• P-TERT-PENTYLPHENOL
• PTAP
• Para-tertiary amylphenol
• Pentaphen
• Pentaphen 67
• Phenol, p-tert-pentyl-
• Ucar amyl phenol 4T
• p-(1,1-Dimethyl propyl) phenol
• p-(«alpha»,«alpha»-Dimethylpropyl)phenol
• p-(«alpha»,«alpha»-Dimethylpropyl)phenol
• p-t-Amyl phenol
• p-t-Pentylphenol

• 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_subH : Enthalpy of sublimation at a given temperature (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).
• P_vap : Vapor pressure (kPa).
• I_np : Non-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
ΔfG°	2.37	kJ/mol	Joback Calculated Property
ΔfH°gas	-219.90	kJ/mol	Joback Calculated Property
ΔfusH°	16.66	kJ/mol	Joback Calculated Property
ΔsubH°	88.30 ± 0.50	kJ/mol	NIST
ΔvapH°	65.30 ± 0.20	kJ/mol	NIST
log10WS	-2.75		Crippen Calculated Property
logPoct/wat	3.080		Crippen Calculated Property
McVol	147.960	ml/mol	McGowan Calculated Property
Pc	3173.97	kPa	Joback Calculated Property
Inp	[1393.00; 1433.00]
Inp	1393.00		NIST
Inp	1433.00		NIST
Inp	1397.20		NIST
Inp	1400.10		NIST
Inp	1404.40		NIST
Inp	1417.00		NIST
Inp	1417.00		NIST
Inp	1393.00		NIST
Tboil	[528.20; 535.65]	K
Tboil	528.20	K	NIST
Tboil	535.65 ± 4.00	K	NIST
Tc	783.63	K	Joback Calculated Property
Tfus	[366.15; 368.00]	K
Tfus	368.00 ± 3.00	K	NIST
Tfus	366.15 ± 2.00	K	NIST
Vc	0.498	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[360.99; 439.00]	J/mol×K	[555.15; 783.63]
Cp,gas	360.99	J/mol×K	555.15	Joback Calculated Property
Cp,gas	376.58	J/mol×K	593.23	Joback Calculated Property
Cp,gas	390.98	J/mol×K	631.31	Joback Calculated Property
Cp,gas	404.31	J/mol×K	669.39	Joback Calculated Property
Cp,gas	416.68	J/mol×K	707.47	Joback Calculated Property
Cp,gas	428.20	J/mol×K	745.55	Joback Calculated Property
Cp,gas	439.00	J/mol×K	783.63	Joback Calculated Property
η	[0.0000453; 0.0030819]	Pa×s	[354.29; 555.15]
η	0.0030819	Pa×s	354.29	Joback Calculated Property
η	0.0011258	Pa×s	387.77	Joback Calculated Property
η	0.0004826	Pa×s	421.24	Joback Calculated Property
η	0.0002344	Pa×s	454.72	Joback Calculated Property
η	0.0001257	Pa×s	488.20	Joback Calculated Property
η	0.0000730	Pa×s	521.67	Joback Calculated Property
η	0.0000453	Pa×s	555.15	Joback Calculated Property
ΔsubH	87.40 ± 0.50	kJ/mol	313.00	NIST
ΔvapH	[58.20; 64.20]	kJ/mol	[315.00; 466.50]
ΔvapH	64.20 ± 0.20	kJ/mol	315.00	NIST
ΔvapH	58.20	kJ/mol	466.50	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[408.52; 556.24]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.61421e+01
Coefficient B			-5.04901e+03
Coefficient C			-9.00610e+01
Temperature range, min.			408.52
Temperature range, max.			556.24
Pvap	1.33	kPa	408.52	Calculated Property
Pvap	2.90	kPa	424.93	Calculated Property
Pvap	5.87	kPa	441.35	Calculated Property
Pvap	11.14	kPa	457.76	Calculated Property
Pvap	20.03	kPa	474.17	Calculated Property
Pvap	34.33	kPa	490.59	Calculated Property
Pvap	56.39	kPa	507.00	Calculated Property
Pvap	89.21	kPa	523.41	Calculated Property
Pvap	136.48	kPa	539.83	Calculated Property
Pvap	202.64	kPa	556.24	Calculated Property
Pvap	[0.20; 3004.84]	kPa	[366.00; 751.00]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			1.16689e+02
Coefficient B			-1.25669e+04
Coefficient C			-1.43529e+01
Coefficient D			5.47644e-06
Temperature range, min.			366.00
Temperature range, max.			751.00
Pvap	0.20	kPa	366.00	Calculated Property
Pvap	1.74	kPa	408.78	Calculated Property
Pvap	9.40	kPa	451.56	Calculated Property
Pvap	35.57	kPa	494.33	Calculated Property
Pvap	104.23	kPa	537.11	Calculated Property
Pvap	253.25	kPa	579.89	Calculated Property
Pvap	535.59	kPa	622.67	Calculated Property
Pvap	1021.36	kPa	665.44	Calculated Property
Pvap	1802.91	kPa	708.22	Calculated Property
Pvap	3004.84	kPa	751.00	Calculated Property

Similar Compounds

Find more compounds similar to Phenol, 4-(1,1-dimethylpropyl)-.

Sources

• KDB Vapor Pressure Data
• Crippen Method
• Crippen Method
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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