Chemical Properties of Benzene, 1-(1,1-dimethylethyl)-4-ethoxy- (CAS 17269-94-2)

InChI

InChI=1S/C12H18O/c1-5-13-11-8-6-10(7-9-11)12(2,3)4/h6-9H,5H2,1-4H3

InChI Key

RMSGBIDKBWPHMJ-UHFFFAOYSA-N

Formula

C12H18O

SMILES

CCOc1ccc(C(C)(C)C)cc1

Molecular Weight¹

178.27

CAS

17269-94-2

Other Names

• Phenetole, p-tert-butyl-
• p-tert-Butylphenetole
• Ethyl 4-terbutylphenyl ether
• 1-(1,1-Dimethylethyl)-4-ethoxy-benzene

• ω : Acentric Factor.
• 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).
• 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).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation 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	[219.29; 536.82]	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			-2.65990e+01
Coefficient B			1.06808e+00
Coefficient C			-6.53960e-04
Coefficient D			1.49300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	219.29	J/mol×K	273.00	Calculated Property
Cp,gas	276.03	J/mol×K	353.78	Calculated Property
Cp,gas	326.30	J/mol×K	434.56	Calculated Property
Cp,gas	370.58	J/mol×K	515.33	Calculated Property
Cp,gas	409.34	J/mol×K	596.11	Calculated Property
Cp,gas	443.05	J/mol×K	676.89	Calculated Property
Cp,gas	472.18	J/mol×K	757.67	Calculated Property
Cp,gas	497.20	J/mol×K	838.44	Calculated Property
Cp,gas	518.59	J/mol×K	919.22	Calculated Property
Cp,gas	536.82	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0025519; 0.0001676]	Pa×s	[288.59; 515.49]	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			-1.21567e+01
Coefficient B			1.78515e+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.			288.59
Temperature range, max.			515.49
η	0.0025519	Pa×s	288.59	Calculated Property
η	0.0015525	Pa×s	313.80	Calculated Property
η	0.0010170	Pa×s	339.01	Calculated Property
η	0.0007063	Pa×s	364.22	Calculated Property
η	0.0005143	Pa×s	389.43	Calculated Property
η	0.0003892	Pa×s	414.64	Calculated Property
η	0.0003041	Pa×s	439.86	Calculated Property
η	0.0002440	Pa×s	465.07	Calculated Property
η	0.0002003	Pa×s	490.28	Calculated Property
η	0.0001676	Pa×s	515.49	Calculated Property

Similar Compounds

Find more compounds similar to Benzene, 1-(1,1-dimethylethyl)-4-ethoxy-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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