Chemical Properties of Hexyl tert-octyl ether

InChI

InChI=1S/C14H30O/c1-7-8-9-10-11-15-14(5,6)12-13(2,3)4/h7-12H2,1-6H3

InChI Key

IQAABZUKUXMNOI-UHFFFAOYSA-N

Formula

C14H30O

SMILES

CCCCCCOC(C)(C)CC(C)(C)C

Molecular Weight¹

214.39

Other Names

• pentane, 2-hexoxy-2,4,4-trimethyl-

• ω : Acentric Factor.
• 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).
• 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	0.5633		Relay (1.0) Calculated Property
ΔfH°gas	-480.27	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	18.38	kJ/mol	Joback Calculated Property
ΔvapH°	59.83	kJ/mol	Relay (1.0) Calculated Property
IE	9.32	eV	Relay (1.0) Calculated Property
logPoct/wat	4.798		Crippen Calculated Property
McVol	213.990	ml/mol	McGowan Calculated Property
Pc	1548.78	kPa	Joback Calculated Property
Inp	[1302.00; 1302.00]
Inp	1302.00		NIST
Inp	1302.00		NIST
Tboil	501.19	K	Relay (1.0) Calculated Property
Tc	669.48	K	Relay (1.0) Calculated Property
Tfus	197.96	K	Relay (1.0) Calculated Property
Vc	0.813	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation, 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	[5.30e-03; 0.05]	kPa	[295.80; 326.20]
Pvap	5.30e-03	kPa	295.80	Determination of Ambient Temperature Vapor Pressures and Vaporization Enthalpies of Branched Ethers
Pvap	6.90e-03	kPa	298.80	Determination of Ambient Temperature Vapor Pressures and Vaporization Enthalpies of Branched Ethers
Pvap	8.60e-03	kPa	301.90	Determination of Ambient Temperature Vapor Pressures and Vaporization Enthalpies of Branched Ethers
Pvap	0.01	kPa	304.90	Determination of Ambient Temperature Vapor Pressures and Vaporization Enthalpies of Branched Ethers
Pvap	0.01	kPa	308.00	Determination of Ambient Temperature Vapor Pressures and Vaporization Enthalpies of Branched Ethers
Pvap	0.02	kPa	311.00	Determination of Ambient Temperature Vapor Pressures and Vaporization Enthalpies of Branched Ethers
Pvap	0.02	kPa	314.10	Determination of Ambient Temperature Vapor Pressures and Vaporization Enthalpies of Branched Ethers
Pvap	0.03	kPa	317.10	Determination of Ambient Temperature Vapor Pressures and Vaporization Enthalpies of Branched Ethers
Pvap	0.03	kPa	320.10	Determination of Ambient Temperature Vapor Pressures and Vaporization Enthalpies of Branched Ethers
Pvap	0.03	kPa	320.10	Determination of Ambient Temperature Vapor Pressures and Vaporization Enthalpies of Branched Ethers
Pvap	0.04	kPa	323.10	Determination of Ambient Temperature Vapor Pressures and Vaporization Enthalpies of Branched Ethers
Pvap	0.05	kPa	326.20	Determination of Ambient Temperature Vapor Pressures and Vaporization Enthalpies of Branched Ethers

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[314.96; 763.04]	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			-3.32840e+01
Coefficient B			1.52232e+00
Coefficient C			-9.70400e-04
Coefficient D			2.44400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	314.96	J/mol×K	273.00	Calculated Property
Cp,gas	394.65	J/mol×K	353.78	Calculated Property
Cp,gas	465.06	J/mol×K	434.56	Calculated Property
Cp,gas	526.96	J/mol×K	515.33	Calculated Property
Cp,gas	581.13	J/mol×K	596.11	Calculated Property
Cp,gas	628.34	J/mol×K	676.89	Calculated Property
Cp,gas	669.36	J/mol×K	757.67	Calculated Property
Cp,gas	704.97	J/mol×K	838.44	Calculated Property
Cp,gas	735.94	J/mol×K	919.22	Calculated Property
Cp,gas	763.04	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0068272; 0.0001770]	Pa×s	[274.61; 498.73]	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			-1.31142e+01
Coefficient B			2.23185e+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.			274.61
Temperature range, max.			498.73
η	0.0068272	Pa×s	274.61	Calculated Property
η	0.0034735	Pa×s	299.51	Calculated Property
η	0.0019605	Pa×s	324.42	Calculated Property
η	0.0012005	Pa×s	349.32	Calculated Property
η	0.0007847	Pa×s	374.22	Calculated Property
η	0.0005409	Pa×s	399.12	Calculated Property
η	0.0003895	Pa×s	424.03	Calculated Property
η	0.0002909	Pa×s	448.93	Calculated Property
η	0.0002240	Pa×s	473.83	Calculated Property
η	0.0001770	Pa×s	498.73	Calculated Property

Similar Compounds

Find more compounds similar to Hexyl tert-octyl ether.

Sources

• Cheméo Relay (1.0)
• 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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