Chemical Properties of Butyl tert-octyl ether

InChI

InChI=1S/C12H26O/c1-7-8-9-13-12(5,6)10-11(2,3)4/h7-10H2,1-6H3

InChI Key

JVLYCQPURZKIPY-UHFFFAOYSA-N

Formula

C12H26O

SMILES

CCCCOC(C)(C)CC(C)(C)C

Molecular Weight¹

186.33

Other Names

• butyl 1,1,3,3-tetramethylbutyl ether
• pentane, 2-butoxy-2,4,4-trimethyl-

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_vap : Vapor pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Pvap	[0.01; 0.17]	kPa	[278.30; 314.20]
Pvap	0.01	kPa	278.30	Determination of Ambient Temperature Vapor Pressures and Vaporization Enthalpies of Branched Ethers
Pvap	0.02	kPa	281.30	Determination of Ambient Temperature Vapor Pressures and Vaporization Enthalpies of Branched Ethers
Pvap	0.02	kPa	284.30	Determination of Ambient Temperature Vapor Pressures and Vaporization Enthalpies of Branched Ethers
Pvap	0.03	kPa	287.30	Determination of Ambient Temperature Vapor Pressures and Vaporization Enthalpies of Branched Ethers
Pvap	0.03	kPa	290.30	Determination of Ambient Temperature Vapor Pressures and Vaporization Enthalpies of Branched Ethers
Pvap	0.04	kPa	293.30	Determination of Ambient Temperature Vapor Pressures and Vaporization Enthalpies of Branched Ethers
Pvap	0.05	kPa	296.30	Determination of Ambient Temperature Vapor Pressures and Vaporization Enthalpies of Branched Ethers
Pvap	0.07	kPa	299.20	Determination of Ambient Temperature Vapor Pressures and Vaporization Enthalpies of Branched Ethers
Pvap	0.08	kPa	302.20	Determination of Ambient Temperature Vapor Pressures and Vaporization Enthalpies of Branched Ethers
Pvap	0.10	kPa	305.20	Determination of Ambient Temperature Vapor Pressures and Vaporization Enthalpies of Branched Ethers
Pvap	0.12	kPa	308.20	Determination of Ambient Temperature Vapor Pressures and Vaporization Enthalpies of Branched Ethers
Pvap	0.15	kPa	311.20	Determination of Ambient Temperature Vapor Pressures and Vaporization Enthalpies of Branched Ethers
Pvap	0.17	kPa	314.20	Determination of Ambient Temperature Vapor Pressures and Vaporization Enthalpies of Branched Ethers

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[272.53; 659.85]	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			-3.14660e+01
Coefficient B			1.33232e+00
Coefficient C			-8.61600e-04
Coefficient D			2.20600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	272.53	J/mol×K	273.00	Calculated Property
Cp,gas	341.81	J/mol×K	353.78	Calculated Property
Cp,gas	402.90	J/mol×K	434.56	Calculated Property
Cp,gas	456.50	J/mol×K	515.33	Calculated Property
Cp,gas	503.31	J/mol×K	596.11	Calculated Property
Cp,gas	544.02	J/mol×K	676.89	Calculated Property
Cp,gas	579.33	J/mol×K	757.67	Calculated Property
Cp,gas	609.94	J/mol×K	838.44	Calculated Property
Cp,gas	636.55	J/mol×K	919.22	Calculated Property
Cp,gas	659.85	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0086566; 0.0002036]	Pa×s	[252.07; 469.02]	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			-1.28564e+01
Coefficient B			2.04353e+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.			252.07
Temperature range, max.			469.02
η	0.0086566	Pa×s	252.07	Calculated Property
η	0.0042661	Pa×s	276.18	Calculated Property
η	0.0023553	Pa×s	300.28	Calculated Property
η	0.0014204	Pa×s	324.39	Calculated Property
η	0.0009187	Pa×s	348.49	Calculated Property
η	0.0006287	Pa×s	372.60	Calculated Property
η	0.0004505	Pa×s	396.71	Calculated Property
η	0.0003354	Pa×s	420.81	Calculated Property
η	0.0002578	Pa×s	444.92	Calculated Property
η	0.0002036	Pa×s	469.02	Calculated Property

Similar Compounds

Find more compounds similar to Butyl 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
• Determination of Ambient Temperature Vapor Pressures and Vaporization Enthalpies of Branched Ethers
• Joback Method
• McGowan Method
• NIST Webbook

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