Chemical Properties of Ethyl tert-octyl ether

InChI

InChI=1S/C10H22O/c1-7-11-10(5,6)8-9(2,3)4/h7-8H2,1-6H3

InChI Key

JGPJRBWLBUGAQN-UHFFFAOYSA-N

Formula

C10H22O

SMILES

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

Molecular Weight¹

158.29

Other Names

• ethyl 1,1,3,3-tetramethylbutyl ether
• pentane, 2-ethoxy-2,4,4-trimethyl-

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• P_vap : Vapor pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.3921		Relay (1.0) Calculated Property
ΔfG°	-66.00	kJ/mol	Joback Calculated Property
ΔfH°gas	-404.70	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	8.02	kJ/mol	Joback Calculated Property
ΔvapH°	47.64	kJ/mol	Relay (1.0) Calculated Property
IE	9.30	eV	Relay (1.0) Calculated Property
logPoct/wat	3.238		Crippen Calculated Property
McVol	157.630	ml/mol	McGowan Calculated Property
Pc	2149.31	kPa	Joback Calculated Property
Inp	[939.00; 939.00]
Inp	939.00		NIST
Inp	939.00		NIST
Tboil	427.25	K	Relay (1.0) Calculated Property
Tc	600.73	K	Relay (1.0) Calculated Property
Tfus	198.00	K	Relay (1.0) Calculated Property
Vc	0.585	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Log10 of Water solubility in mol/l for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Pvap	[0.09; 0.60]	kPa	[274.30; 301.20]
Pvap	0.09	kPa	274.30	Determination of Ambient Temperature Vapor Pressures and Vaporization Enthalpies of Branched Ethers
Pvap	0.12	kPa	277.20	Determination of Ambient Temperature Vapor Pressures and Vaporization Enthalpies of Branched Ethers
Pvap	0.14	kPa	280.10	Determination of Ambient Temperature Vapor Pressures and Vaporization Enthalpies of Branched Ethers
Pvap	0.18	kPa	283.20	Determination of Ambient Temperature Vapor Pressures and Vaporization Enthalpies of Branched Ethers
Pvap	0.22	kPa	286.10	Determination of Ambient Temperature Vapor Pressures and Vaporization Enthalpies of Branched Ethers
Pvap	0.28	kPa	289.20	Determination of Ambient Temperature Vapor Pressures and Vaporization Enthalpies of Branched Ethers
Pvap	0.34	kPa	292.20	Determination of Ambient Temperature Vapor Pressures and Vaporization Enthalpies of Branched Ethers
Pvap	0.41	kPa	295.20	Determination of Ambient Temperature Vapor Pressures and Vaporization Enthalpies of Branched Ethers
Pvap	0.51	kPa	298.20	Determination of Ambient Temperature Vapor Pressures and Vaporization Enthalpies of Branched Ethers
Pvap	0.60	kPa	301.20	Determination of Ambient Temperature Vapor Pressures and Vaporization Enthalpies of Branched Ethers

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[230.10; 556.67]	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			-2.96480e+01
Coefficient B			1.14232e+00
Coefficient C			-7.52800e-04
Coefficient D			1.96800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	230.10	J/mol×K	273.00	Calculated Property
Cp,gas	288.97	J/mol×K	353.78	Calculated Property
Cp,gas	340.75	J/mol×K	434.56	Calculated Property
Cp,gas	386.04	J/mol×K	515.33	Calculated Property
Cp,gas	425.48	J/mol×K	596.11	Calculated Property
Cp,gas	459.69	J/mol×K	676.89	Calculated Property
Cp,gas	489.30	J/mol×K	757.67	Calculated Property
Cp,gas	514.91	J/mol×K	838.44	Calculated Property
Cp,gas	537.16	J/mol×K	919.22	Calculated Property
Cp,gas	556.67	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0106846; 0.0002251]	Pa×s	[229.53; 439.36]	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			-1.26216e+01
Coefficient B			1.85521e+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.			229.53
Temperature range, max.			439.36
η	0.0106846	Pa×s	229.53	Calculated Property
η	0.0050709	Pa×s	252.84	Calculated Property
η	0.0027294	Pa×s	276.16	Calculated Property
η	0.0016178	Pa×s	299.47	Calculated Property
η	0.0010342	Pa×s	322.79	Calculated Property
η	0.0007022	Pa×s	346.10	Calculated Property
η	0.0005007	Pa×s	369.41	Calculated Property
η	0.0003716	Pa×s	392.73	Calculated Property
η	0.0002852	Pa×s	416.04	Calculated Property
η	0.0002251	Pa×s	439.36	Calculated Property

Similar Compounds

Find more compounds similar to Ethyl tert-octyl ether.

Mixtures

• Ethyl tert-octyl ether + Water

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Infinite dilution activity coefficient measurements by inert gas stripping method
• Determination of Ambient Temperature Vapor Pressures and Vaporization Enthalpies of Branched Ethers
• Joback Method
• McGowan Method
• NIST Webbook

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