Chemical Properties of 4-tert-octylphenol (CAS 124765-79-3)

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

124765-79-3

Other Names

• 4-(1,1,3,3-Tetramethylbutyl)phenol
• Phenol, 4-(1,1,3,3-tetramethylbutyl)-
• Phenol, p-(1,1,3,3-tetramethylbutyl)-
• Phenol, p-(tert-octyl)-
• p-(1',1',3',3'-Tetramethylbutyl)phenol
• 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_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).
• 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_vap : Vapor pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[259.19; 648.43]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-1.01609e+02
Coefficient B			1.66120e+00
Coefficient C			-1.36896e-03
Coefficient D			4.57800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	259.19	J/mol×K	273.00	Calculated Property
Cp,gas	335.02	J/mol×K	353.78	Calculated Property
Cp,gas	399.33	J/mol×K	434.56	Calculated Property
Cp,gas	453.56	J/mol×K	515.33	Calculated Property
Cp,gas	499.17	J/mol×K	596.11	Calculated Property
Cp,gas	537.59	J/mol×K	676.89	Calculated Property
Cp,gas	570.28	J/mol×K	757.67	Calculated Property
Cp,gas	598.69	J/mol×K	838.44	Calculated Property
Cp,gas	624.25	J/mol×K	919.22	Calculated Property
Cp,gas	648.43	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0016156; 0.0000268]	Pa×s	[390.52; 595.09]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.83505e+01
Coefficient B			4.65596e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			390.52
Temperature range, max.			595.09
η	0.0016156	Pa×s	390.52	Calculated Property
η	0.0008385	Pa×s	413.25	Calculated Property
η	0.0004660	Pa×s	435.98	Calculated Property
η	0.0002745	Pa×s	458.71	Calculated Property
η	0.0001700	Pa×s	481.44	Calculated Property
η	0.0001099	Pa×s	504.17	Calculated Property
η	0.0000738	Pa×s	526.90	Calculated Property
η	0.0000512	Pa×s	549.63	Calculated Property
η	0.0000366	Pa×s	572.36	Calculated Property
η	0.0000268	Pa×s	595.09	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[430.88; 583.64]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
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 Vapor Pressure Data
Equation			ln(Y) = A + B/T + C·ln(T) + D·T² + E/T² Y is Pvap in kPa, T in K
Coefficient A			1.70048e+02
Coefficient B			-1.61286e+04
Coefficient C			-2.20319e+01
Coefficient D			8.64424e-06
Coefficient E			0.00000e+00
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 4-tert-octylphenol.

Sources

• KDB Vapor Pressure Data
• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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