Chemical Properties of 1,4-Di-t-butyl-2,5-dimethoxybenzene

InChI

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

InChI Key

ATGCJUULFWEWPY-UHFFFAOYSA-N

Formula

C16H26O2

SMILES

COc1cc(C(C)(C)C)c(OC)cc1C(C)(C)C

Molecular Weight¹

250.38

Other Names

• 1,4-di-tert-Butyl-2,5-dimethoxybenzene
• Benzene, 1,4-bis(1,1-dimethylethyl)-2,5-dimethoxy-

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization 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	[323.19; 757.07]	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			-6.10000e-01
Coefficient B			1.39176e+00
Coefficient C			-7.98280e-04
Coefficient D			1.64200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	323.19	J/mol×K	273.00	Calculated Property
Cp,gas	399.12	J/mol×K	353.78	Calculated Property
Cp,gas	466.92	J/mol×K	434.56	Calculated Property
Cp,gas	527.08	J/mol×K	515.33	Calculated Property
Cp,gas	580.15	J/mol×K	596.11	Calculated Property
Cp,gas	626.63	J/mol×K	676.89	Calculated Property
Cp,gas	667.04	J/mol×K	757.67	Calculated Property
Cp,gas	701.90	J/mol×K	838.44	Calculated Property
Cp,gas	731.74	J/mol×K	919.22	Calculated Property
Cp,gas	757.07	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0008872; 0.0000914]	Pa×s	[383.36; 598.84]	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			-1.33450e+01
Coefficient B			2.42190e+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.			383.36
Temperature range, max.			598.84
η	0.0008872	Pa×s	383.36	Calculated Property
η	0.0006120	Pa×s	407.30	Calculated Property
η	0.0004399	Pa×s	431.24	Calculated Property
η	0.0003274	Pa×s	455.19	Calculated Property
η	0.0002510	Pa×s	479.13	Calculated Property
η	0.0001973	Pa×s	503.07	Calculated Property
η	0.0001585	Pa×s	527.01	Calculated Property
η	0.0001298	Pa×s	550.95	Calculated Property
η	0.0001081	Pa×s	574.90	Calculated Property
η	0.0000914	Pa×s	598.84	Calculated Property

Similar Compounds

Find more compounds similar to 1,4-Di-t-butyl-2,5-dimethoxybenzene.

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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