Chemical Properties of Butyl 1,1-dimethylpropyl ether (CAS 3249-47-6)

InChI

InChI=1S/C9H20O/c1-5-7-8-10-9(3,4)6-2/h5-8H2,1-4H3

InChI Key

FTGPSKPJRKRPSX-UHFFFAOYSA-N

Formula

C9H20O

SMILES

CCCCOC(C)(C)CC

Molecular Weight¹

144.25

CAS

3249-47-6

Other Names

• butane, 2-butoxy-2-methyl-
• ether, butyl tert-pentyl
• Butyl tert-pentyl ether

• ω : Acentric Factor.
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• 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_fH°_liquid : Liquid phase 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• 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	0.4243		Relay (1.0) Calculated Property
ΔcH°liquid	-5971.54 ± 0.90	kJ/mol	NIST
ΔfG°	-77.26	kJ/mol	Joback Calculated Property
ΔfH°gas	-382.20 ± 0.93	kJ/mol	NIST
ΔfH°liquid	-428.34 ± 0.90	kJ/mol	NIST
ΔfusH°	12.84	kJ/mol	Joback Calculated Property
ΔvapH°	[46.10; 48.30]	kJ/mol
ΔvapH°	48.30	kJ/mol	NIST
ΔvapH°	46.14 ± 0.25	kJ/mol	NIST
ΔvapH°	46.10 ± 0.30	kJ/mol	NIST
IE	9.13	eV	Relay (1.0) Calculated Property
log10WS	-2.08		Relay (1.0) Calculated Property
logPoct/wat	2.992		Crippen Calculated Property
McVol	143.540	ml/mol	McGowan Calculated Property
Pc	2311.39	kPa	Joback Calculated Property
Inp	[906.00; 906.00]
Inp	906.00		NIST
Inp	906.00		NIST
Tboil	418.05	K	Relay (1.0) Calculated Property
Tc	593.70	K	Relay (1.0) Calculated Property
Tfus	169.70	K	Relay (1.0) Calculated Property
Vc	0.535	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Pvap	[0.11; 1.20]	kPa	[274.20; 308.20]
Pvap	0.11	kPa	274.20	Determination of Ambient Temperature Vapor Pressures and Vaporization Enthalpies of Branched Ethers
Pvap	0.13	kPa	276.20	Determination of Ambient Temperature Vapor Pressures and Vaporization Enthalpies of Branched Ethers
Pvap	0.16	kPa	278.20	Determination of Ambient Temperature Vapor Pressures and Vaporization Enthalpies of Branched Ethers
Pvap	0.15	kPa	278.20	Determination of Ambient Temperature Vapor Pressures and Vaporization Enthalpies of Branched Ethers
Pvap	0.18	kPa	281.30	Determination of Ambient Temperature Vapor Pressures and Vaporization Enthalpies of Branched Ethers
Pvap	0.23	kPa	283.20	Determination of Ambient Temperature Vapor Pressures and Vaporization Enthalpies of Branched Ethers
Pvap	0.22	kPa	283.20	Determination of Ambient Temperature Vapor Pressures and Vaporization Enthalpies of Branched Ethers
Pvap	0.25	kPa	285.20	Determination of Ambient Temperature Vapor Pressures and Vaporization Enthalpies of Branched Ethers
Pvap	0.26	kPa	286.20	Determination of Ambient Temperature Vapor Pressures and Vaporization Enthalpies of Branched Ethers
Pvap	0.32	kPa	288.20	Determination of Ambient Temperature Vapor Pressures and Vaporization Enthalpies of Branched Ethers
Pvap	0.36	kPa	290.20	Determination of Ambient Temperature Vapor Pressures and Vaporization Enthalpies of Branched Ethers
Pvap	0.48	kPa	293.20	Determination of Ambient Temperature Vapor Pressures and Vaporization Enthalpies of Branched Ethers
Pvap	0.44	kPa	293.20	Determination of Ambient Temperature Vapor Pressures and Vaporization Enthalpies of Branched Ethers
Pvap	0.55	kPa	296.20	Determination of Ambient Temperature Vapor Pressures and Vaporization Enthalpies of Branched Ethers
Pvap	0.67	kPa	298.20	Determination of Ambient Temperature Vapor Pressures and Vaporization Enthalpies of Branched Ethers
Pvap	0.61	kPa	298.20	Determination of Ambient Temperature Vapor Pressures and Vaporization Enthalpies of Branched Ethers
Pvap	0.74	kPa	301.20	Determination of Ambient Temperature Vapor Pressures and Vaporization Enthalpies of Branched Ethers
Pvap	0.90	kPa	303.20	Determination of Ambient Temperature Vapor Pressures and Vaporization Enthalpies of Branched Ethers
Pvap	0.90	kPa	304.20	Determination of Ambient Temperature Vapor Pressures and Vaporization Enthalpies of Branched Ethers
Pvap	1.20	kPa	308.20	Determination of Ambient Temperature Vapor Pressures and Vaporization Enthalpies of Branched Ethers

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[210.35; 503.61]	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			-4.26600e+00
Coefficient B			9.21480e-01
Coefficient C			-5.26600e-04
Coefficient D			1.13000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	210.35	J/mol×K	273.00	Calculated Property
Cp,gas	260.83	J/mol×K	353.78	Calculated Property
Cp,gas	306.00	J/mol×K	434.56	Calculated Property
Cp,gas	346.22	J/mol×K	515.33	Calculated Property
Cp,gas	381.85	J/mol×K	596.11	Calculated Property
Cp,gas	413.24	J/mol×K	676.89	Calculated Property
Cp,gas	440.76	J/mol×K	757.67	Calculated Property
Cp,gas	464.75	J/mol×K	838.44	Calculated Property
Cp,gas	485.59	J/mol×K	919.22	Calculated Property
Cp,gas	503.61	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0071777; 0.0002362]	Pa×s	[215.84; 418.80]	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			-1.19814e+01
Coefficient B			1.52051e+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.			215.84
Temperature range, max.			418.80
η	0.0071777	Pa×s	215.84	Calculated Property
η	0.0036861	Pa×s	238.39	Calculated Property
η	0.0021241	Pa×s	260.94	Calculated Property
η	0.0013362	Pa×s	283.49	Calculated Property
η	0.0009000	Pa×s	306.04	Calculated Property
η	0.0006400	Pa×s	328.60	Calculated Property
η	0.0004754	Pa×s	351.15	Calculated Property
η	0.0003661	Pa×s	373.70	Calculated Property
η	0.0002904	Pa×s	396.25	Calculated Property
η	0.0002362	Pa×s	418.80	Calculated Property

Similar Compounds

Find more compounds similar to Butyl 1,1-dimethylpropyl ether.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Determination of Ambient Temperature Vapor Pressures and Vaporization Enthalpies of Branched Ethers
• Thermochemistry of Branched Ethers: Experimental Study of Chemical Equilibrium in the Reacting System of tert-Amyl Alkyl Ether Synthesis
• Thermochemistry of Benzyl Alcohol: Reaction Equilibria Involving Benzyl Alcohol and tert-Alkyl Ethers
• Joback Method
• McGowan Method
• NIST Webbook

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