Chemical Properties of Bis[4-(1,1,3,3-tetramethylbutyl)phenyl] ether (CAS 101-58-6)

InChI

InChI=1S/C28H42O/c1-25(2,3)19-27(7,8)21-11-15-23(16-12-21)29-24-17-13-22(14-18-24)28(9,10)20-26(4,5)6/h11-18H,19-20H2,1-10H3

InChI Key

AJDONJVWDSZZQF-UHFFFAOYSA-N

Formula

C28H42O

SMILES

CC(C)(C)CC(C)(C)c1ccc(Oc2ccc(C(C)(C)CC(C)(C)C)cc2)cc1

Molecular Weight¹

394.63

CAS

101-58-6

Other Names

• Benzene, 1,1'-oxy-, bis[4-(1,1,3,3-tetramethylbutyl)]-

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• 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, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, 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	[499.62; 1245.11]	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			-1.34168e+02
Coefficient B			2.82720e+00
Coefficient C			-2.00392e-03
Coefficient D			5.56000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	499.62	J/mol×K	273.00	Calculated Property
Cp,gas	639.84	J/mol×K	353.78	Calculated Property
Cp,gas	761.62	J/mol×K	434.56	Calculated Property
Cp,gas	866.70	J/mol×K	515.33	Calculated Property
Cp,gas	956.84	J/mol×K	596.11	Calculated Property
Cp,gas	1033.81	J/mol×K	676.89	Calculated Property
Cp,gas	1099.37	J/mol×K	757.67	Calculated Property
Cp,gas	1155.26	J/mol×K	838.44	Calculated Property
Cp,gas	1203.26	J/mol×K	919.22	Calculated Property
Cp,gas	1245.11	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0002798; 0.0000176]	Pa×s	[515.11; 800.98]	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			-1.59380e+01
Coefficient B			3.99549e+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.			515.11
Temperature range, max.			800.98
η	0.0002798	Pa×s	515.11	Calculated Property
η	0.0001783	Pa×s	546.87	Calculated Property
η	0.0001194	Pa×s	578.64	Calculated Property
η	0.0000834	Pa×s	610.40	Calculated Property
η	0.0000603	Pa×s	642.16	Calculated Property
η	0.0000450	Pa×s	673.92	Calculated Property
η	0.0000344	Pa×s	705.69	Calculated Property
η	0.0000270	Pa×s	737.45	Calculated Property
η	0.0000216	Pa×s	769.21	Calculated Property
η	0.0000176	Pa×s	800.98	Calculated Property

Similar Compounds

Find more compounds similar to Bis[4-(1,1,3,3-tetramethylbutyl)phenyl] ether.

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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