Chemical Properties of 3-Methylpentyl tert-octyl ether

InChI

InChI=1S/C14H30O/c1-8-12(2)9-10-15-14(6,7)11-13(3,4)5/h12H,8-11H2,1-7H3

InChI Key

XDHWRZJHGHTKAG-UHFFFAOYSA-N

Formula

C14H30O

SMILES

CCC(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	[314.64; 763.57]	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			-3.49660e+01
Coefficient B			1.52824e+00
Coefficient C			-9.73600e-04
Coefficient D			2.43900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	314.64	J/mol×K	273.00	Calculated Property
Cp,gas	394.64	J/mol×K	353.78	Calculated Property
Cp,gas	465.30	J/mol×K	434.56	Calculated Property
Cp,gas	527.41	J/mol×K	515.33	Calculated Property
Cp,gas	581.73	J/mol×K	596.11	Calculated Property
Cp,gas	629.04	J/mol×K	676.89	Calculated Property
Cp,gas	670.11	J/mol×K	757.67	Calculated Property
Cp,gas	705.71	J/mol×K	838.44	Calculated Property
Cp,gas	736.60	J/mol×K	919.22	Calculated Property
Cp,gas	763.57	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0110472; 0.0001639]	Pa×s	[259.61; 500.83]	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			-1.32482e+01
Coefficient B			2.26967e+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.			259.61
Temperature range, max.			500.83
η	0.0110472	Pa×s	259.61	Calculated Property
η	0.0048747	Pa×s	286.41	Calculated Property
η	0.0024742	Pa×s	313.21	Calculated Property
η	0.0013976	Pa×s	340.02	Calculated Property
η	0.0008581	Pa×s	366.82	Calculated Property
η	0.0005631	Pa×s	393.62	Calculated Property
η	0.0003899	Pa×s	420.42	Calculated Property
η	0.0002821	Pa×s	447.23	Calculated Property
η	0.0002117	Pa×s	474.03	Calculated Property
η	0.0001639	Pa×s	500.83	Calculated Property

Similar Compounds

Find more compounds similar to 3-Methylpentyl 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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