Chemical Properties of Propyl tert-octyl ether

InChI

InChI=1S/C11H24O/c1-7-8-12-11(5,6)9-10(2,3)4/h7-9H2,1-6H3

InChI Key

LAAOKLJBELVTBX-UHFFFAOYSA-N

Formula

C11H24O

SMILES

CCCOC(C)(C)CC(C)(C)C

Molecular Weight¹

172.31

Other Names

• pentane, 2-propoxy-2,4,4-trimethyl-
• propyl 1,1,3,3-tetramethylbutyl ether

• 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	[0.03; 0.39]	kPa	[274.30; 308.20]
Pvap	0.03	kPa	274.30	Determination of Ambient Temperature Vapor Pressures and Vaporization Enthalpies of Branched Ethers
Pvap	0.04	kPa	277.30	Determination of Ambient Temperature Vapor Pressures and Vaporization Enthalpies of Branched Ethers
Pvap	0.05	kPa	278.20	Determination of Ambient Temperature Vapor Pressures and Vaporization Enthalpies of Branched Ethers
Pvap	0.06	kPa	280.20	Determination of Ambient Temperature Vapor Pressures and Vaporization Enthalpies of Branched Ethers
Pvap	0.07	kPa	283.40	Determination of Ambient Temperature Vapor Pressures and Vaporization Enthalpies of Branched Ethers
Pvap	0.09	kPa	286.20	Determination of Ambient Temperature Vapor Pressures and Vaporization Enthalpies of Branched Ethers
Pvap	0.12	kPa	289.30	Determination of Ambient Temperature Vapor Pressures and Vaporization Enthalpies of Branched Ethers
Pvap	0.14	kPa	292.30	Determination of Ambient Temperature Vapor Pressures and Vaporization Enthalpies of Branched Ethers
Pvap	0.16	kPa	294.40	Determination of Ambient Temperature Vapor Pressures and Vaporization Enthalpies of Branched Ethers
Pvap	0.19	kPa	296.30	Determination of Ambient Temperature Vapor Pressures and Vaporization Enthalpies of Branched Ethers
Pvap	0.20	kPa	297.40	Determination of Ambient Temperature Vapor Pressures and Vaporization Enthalpies of Branched Ethers
Pvap	0.21	kPa	297.80	Determination of Ambient Temperature Vapor Pressures and Vaporization Enthalpies of Branched Ethers
Pvap	0.22	kPa	298.30	Determination of Ambient Temperature Vapor Pressures and Vaporization Enthalpies of Branched Ethers
Pvap	0.23	kPa	299.30	Determination of Ambient Temperature Vapor Pressures and Vaporization Enthalpies of Branched Ethers
Pvap	0.24	kPa	300.30	Determination of Ambient Temperature Vapor Pressures and Vaporization Enthalpies of Branched Ethers
Pvap	0.26	kPa	301.20	Determination of Ambient Temperature Vapor Pressures and Vaporization Enthalpies of Branched Ethers
Pvap	0.28	kPa	302.20	Determination of Ambient Temperature Vapor Pressures and Vaporization Enthalpies of Branched Ethers
Pvap	0.30	kPa	303.20	Determination of Ambient Temperature Vapor Pressures and Vaporization Enthalpies of Branched Ethers
Pvap	0.32	kPa	304.30	Determination of Ambient Temperature Vapor Pressures and Vaporization Enthalpies of Branched Ethers
Pvap	0.33	kPa	305.20	Determination of Ambient Temperature Vapor Pressures and Vaporization Enthalpies of Branched Ethers
Pvap	0.36	kPa	306.20	Determination of Ambient Temperature Vapor Pressures and Vaporization Enthalpies of Branched Ethers
Pvap	0.38	kPa	307.20	Determination of Ambient Temperature Vapor Pressures and Vaporization Enthalpies of Branched Ethers
Pvap	0.39	kPa	308.20	Determination of Ambient Temperature Vapor Pressures and Vaporization Enthalpies of Branched Ethers

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[251.32; 608.26]	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			-3.05570e+01
Coefficient B			1.23732e+00
Coefficient C			-8.07200e-04
Coefficient D			2.08700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	251.32	J/mol×K	273.00	Calculated Property
Cp,gas	315.39	J/mol×K	353.78	Calculated Property
Cp,gas	371.82	J/mol×K	434.56	Calculated Property
Cp,gas	421.27	J/mol×K	515.33	Calculated Property
Cp,gas	464.39	J/mol×K	596.11	Calculated Property
Cp,gas	501.85	J/mol×K	676.89	Calculated Property
Cp,gas	534.31	J/mol×K	757.67	Calculated Property
Cp,gas	562.43	J/mol×K	838.44	Calculated Property
Cp,gas	586.86	J/mol×K	919.22	Calculated Property
Cp,gas	608.26	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0096548; 0.0002152]	Pa×s	[240.80; 454.21]	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			-1.27357e+01
Coefficient B			1.94937e+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.			240.80
Temperature range, max.			454.21
η	0.0096548	Pa×s	240.80	Calculated Property
η	0.0046728	Pa×s	264.51	Calculated Property
η	0.0025484	Pa×s	288.22	Calculated Property
η	0.0015240	Pa×s	311.94	Calculated Property
η	0.0009800	Pa×s	335.65	Calculated Property
η	0.0006681	Pa×s	359.36	Calculated Property
η	0.0004775	Pa×s	383.07	Calculated Property
η	0.0003549	Pa×s	406.78	Calculated Property
η	0.0002726	Pa×s	430.50	Calculated Property
η	0.0002152	Pa×s	454.21	Calculated Property

Similar Compounds

Find more compounds similar to Propyl 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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