Chemical Properties of 3,3-Dimethylbutyl tert-octyl ether

InChI

InChI=1S/C14H30O/c1-12(2,3)9-10-15-14(7,8)11-13(4,5)6/h9-11H2,1-8H3

InChI Key

CFYGAKVQHADXFE-UHFFFAOYSA-N

Formula

C14H30O

SMILES

CC(C)(C)CCOC(C)(C)CC(C)(C)C

Molecular Weight¹

214.39

• 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).
• I_np : Non-polar retention indices.
• 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, 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	[313.50; 764.50]	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			-5.77570e+01
Coefficient B			1.64816e+00
Coefficient C			-1.14220e-03
Coefficient D			3.16300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	313.50	J/mol×K	273.00	Calculated Property
Cp,gas	396.37	J/mol×K	353.78	Calculated Property
Cp,gas	468.72	J/mol×K	434.56	Calculated Property
Cp,gas	531.55	J/mol×K	515.33	Calculated Property
Cp,gas	585.85	J/mol×K	596.11	Calculated Property
Cp,gas	632.63	J/mol×K	676.89	Calculated Property
Cp,gas	672.88	J/mol×K	757.67	Calculated Property
Cp,gas	707.61	J/mol×K	838.44	Calculated Property
Cp,gas	737.82	J/mol×K	919.22	Calculated Property
Cp,gas	764.50	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0088835; 0.0001605]	Pa×s	[277.03; 503.47]	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			-1.36482e+01
Coefficient B			2.47239e+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.			277.03
Temperature range, max.			503.47
η	0.0088835	Pa×s	277.03	Calculated Property
η	0.0042256	Pa×s	302.19	Calculated Property
η	0.0022531	Pa×s	327.35	Calculated Property
η	0.0013142	Pa×s	352.51	Calculated Property
η	0.0008237	Pa×s	377.67	Calculated Property
η	0.0005472	Pa×s	402.83	Calculated Property
η	0.0003815	Pa×s	427.99	Calculated Property
η	0.0002768	Pa×s	453.15	Calculated Property
η	0.0002078	Pa×s	478.31	Calculated Property
η	0.0001605	Pa×s	503.47	Calculated Property

Similar Compounds

Find more compounds similar to 3,3-Dimethylbutyl tert-octyl 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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