Chemical Properties of Phenol, 2,6-bis(1,1-dimethylethyl)-4-ethoxy- (CAS 5442-35-3)

InChI

InChI=1S/C16H26O2/c1-8-18-11-9-12(15(2,3)4)14(17)13(10-11)16(5,6)7/h9-10,17H,8H2,1-7H3

InChI Key

YQQQXXUABFURLN-UHFFFAOYSA-N

Formula

C16H26O2

SMILES

CCOc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

Molecular Weight¹

250.38

CAS

5442-35-3

• 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_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• 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, Log10 of Water solubility in mol/l 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[322.12; 764.03]	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			-4.93290e+01
Coefficient B			1.66904e+00
Coefficient C			-1.23268e-03
Coefficient D			3.77000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	322.12	J/mol×K	273.00	Calculated Property
Cp,gas	403.55	J/mol×K	353.78	Calculated Property
Cp,gas	474.12	J/mol×K	434.56	Calculated Property
Cp,gas	535.02	J/mol×K	515.33	Calculated Property
Cp,gas	587.43	J/mol×K	596.11	Calculated Property
Cp,gas	632.56	J/mol×K	676.89	Calculated Property
Cp,gas	671.59	J/mol×K	757.67	Calculated Property
Cp,gas	705.72	J/mol×K	838.44	Calculated Property
Cp,gas	736.13	J/mol×K	919.22	Calculated Property
Cp,gas	764.03	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0002782; 0.0000138]	Pa×s	[460.33; 643.22]	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			-1.87530e+01
Coefficient B			4.86385e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			460.33
Temperature range, max.			643.22
η	0.0002782	Pa×s	460.33	Calculated Property
η	0.0001780	Pa×s	480.65	Calculated Property
η	0.0001181	Pa×s	500.97	Calculated Property
η	0.0000809	Pa×s	521.29	Calculated Property
η	0.0000570	Pa×s	541.62	Calculated Property
η	0.0000412	Pa×s	561.94	Calculated Property
η	0.0000304	Pa×s	582.26	Calculated Property
η	0.0000230	Pa×s	602.58	Calculated Property
η	0.0000177	Pa×s	622.90	Calculated Property
η	0.0000138	Pa×s	643.22	Calculated Property

Similar Compounds

Find more compounds similar to Phenol, 2,6-bis(1,1-dimethylethyl)-4-ethoxy-.

Sources

• 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
• McGowan Method
• NIST Webbook

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