Chemical Properties of Phenol, 4-(1,1,3,3-tetramethylbutyl)- (CAS 140-66-9)

InChI

InChI=1S/C14H22O/c1-13(2,3)10-14(4,5)11-6-8-12(15)9-7-11/h6-9,15H,10H2,1-5H3

InChI Key

ISAVYTVYFVQUDY-UHFFFAOYSA-N

Formula

C14H22O

SMILES

CC(C)(C)CC(C)(C)c1ccc(O)cc1

Molecular Weight¹

206.32

CAS

140-66-9

Other Names

• 4-(1,1,3,3-Tetramethylbutyl)phenol
• 4-tert-Octylphenol
• P-(1,1,3,3-TETRAMETHYLBUTYL)PHENOL
• Phenol, p-(1,1,3,3-tetramethylbutyl)-
• Phenol, p-(tert-octyl)-
• p-(1',1',3',3'-Tetramethylbutyl)phenol
• p-Terc.oktylfenol
• p-tert-Octylphenol
• para-tert-Octylphenol

• 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_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_boilr : Boiling point at reduced pressure (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°	30.47	kJ/mol	Joback Calculated Property
ΔfH°gas	-290.57	kJ/mol	Joback Calculated Property
ΔfusH°	17.01	kJ/mol	Joback Calculated Property
ΔvapH°	70.70 ± 0.30	kJ/mol	NIST
log10WS	-3.77		Crippen Calculated Property
logPoct/wat	4.106		Crippen Calculated Property
McVol	190.230	ml/mol	McGowan Calculated Property
Pc	2393.53	kPa	Joback Calculated Property
Inp	[1572.00; 1629.00]
Inp	1629.00		NIST
Inp	1601.00		NIST
Inp	1572.00		NIST
Inp	1601.00		NIST
Tboil	620.56	K	Joback Calculated Property
Tc	849.86	K	Joback Calculated Property
Tfus	[356.00; 358.17]	K
Tfus	358.17 ± 0.10	K	NIST
Tfus	356.00 ± 3.00	K	NIST
Vc	0.655	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[511.49; 602.44]	J/mol×K	[620.56; 849.86]
Cp,gas	511.49	J/mol×K	620.56	Joback Calculated Property
Cp,gas	529.53	J/mol×K	658.78	Joback Calculated Property
Cp,gas	546.21	J/mol×K	696.99	Joback Calculated Property
Cp,gas	561.68	J/mol×K	735.21	Joback Calculated Property
Cp,gas	576.11	J/mol×K	773.42	Joback Calculated Property
Cp,gas	589.65	J/mol×K	811.64	Joback Calculated Property
Cp,gas	602.44	J/mol×K	849.86	Joback Calculated Property
η	[0.0000194; 0.0016156]	Pa×s	[390.52; 620.56]
η	0.0016156	Pa×s	390.52	Joback Calculated Property
η	0.0005565	Pa×s	428.86	Joback Calculated Property
η	0.0002283	Pa×s	467.20	Joback Calculated Property
η	0.0001072	Pa×s	505.54	Joback Calculated Property
η	0.0000560	Pa×s	543.88	Joback Calculated Property
η	0.0000319	Pa×s	582.22	Joback Calculated Property
η	0.0000194	Pa×s	620.56	Joback Calculated Property
ΔvapH	[68.80; 72.40]	kJ/mol	[329.50; 472.00]
ΔvapH	68.80 ± 0.30	kJ/mol	329.50	NIST
ΔvapH	72.40	kJ/mol	472.00	NIST

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[430.88; 583.64]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.62643e+01
Coefficient B			-5.32104e+03
Coefficient C			-9.78310e+01
Temperature range, min.			430.88
Temperature range, max.			583.64
Pvap	1.33	kPa	430.88	Calculated Property
Pvap	2.89	kPa	447.85	Calculated Property
Pvap	5.84	kPa	464.83	Calculated Property
Pvap	11.09	kPa	481.80	Calculated Property
Pvap	19.95	kPa	498.77	Calculated Property
Pvap	34.19	kPa	515.75	Calculated Property
Pvap	56.20	kPa	532.72	Calculated Property
Pvap	88.99	kPa	549.69	Calculated Property
Pvap	136.30	kPa	566.67	Calculated Property
Pvap	202.63	kPa	583.64	Calculated Property
Pvap	[0.03; 2286.47]	kPa	[358.55; 765.00]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			1.70048e+02
Coefficient B			-1.61286e+04
Coefficient C			-2.20319e+01
Coefficient D			8.64424e-06
Temperature range, min.			358.55
Temperature range, max.			765.00
Pvap	0.03	kPa	358.55	Calculated Property
Pvap	0.50	kPa	403.71	Calculated Property
Pvap	3.73	kPa	448.87	Calculated Property
Pvap	17.39	kPa	494.03	Calculated Property
Pvap	58.36	kPa	539.19	Calculated Property
Pvap	155.22	kPa	584.36	Calculated Property
Pvap	350.25	kPa	629.52	Calculated Property
Pvap	703.68	kPa	674.68	Calculated Property
Pvap	1303.76	kPa	719.84	Calculated Property
Pvap	2286.47	kPa	765.00	Calculated Property

Similar Compounds

Find more compounds similar to Phenol, 4-(1,1,3,3-tetramethylbutyl)-.

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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