Chemical Properties of 1-(isobutoxy)butane (CAS 17071-47-5)

InChI

InChI=1S/C8H18O/c1-4-5-6-9-7-8(2)3/h8H,4-7H2,1-3H3

InChI Key

VDHBXQMYKGNZRP-UHFFFAOYSA-N

Formula

C8H18O

SMILES

CCCCOCC(C)C

Molecular Weight¹

130.23

CAS

17071-47-5

Other Names

• 1-(2-methylpropoxy)butane
• 1-isobutoxybutane
• butyl 2-methylpropyl ether
• butyl isobutyl ether
• isobutyl butyl ether

• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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).
• ρ_l : Liquid Density (kg/m³).
• 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

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ΔvapH	40.30	kJ/mol	367.00	NIST
ρl	[732.99; 764.07]	kg/m3	[288.15; 323.15]
ρl	764.07	kg/m3	288.15	Excess Enthalpies in Binary Systems of Isomeric C8 Aliphatic Monoethers with Acetonitrile and Their Description by the COSMO-SAC Model
ρl	759.72	kg/m3	293.15	Excess Enthalpies in Binary Systems of Isomeric C8 Aliphatic Monoethers with Acetonitrile and Their Description by the COSMO-SAC Model
ρl	755.31	kg/m3	298.15	Excess Enthalpies in Binary Systems of Isomeric C8 Aliphatic Monoethers with Acetonitrile and Their Description by the COSMO-SAC Model
ρl	750.87	kg/m3	303.15	Excess Enthalpies in Binary Systems of Isomeric C8 Aliphatic Monoethers with Acetonitrile and Their Description by the COSMO-SAC Model
ρl	746.45	kg/m3	308.15	Excess Enthalpies in Binary Systems of Isomeric C8 Aliphatic Monoethers with Acetonitrile and Their Description by the COSMO-SAC Model
ρl	741.98	kg/m3	313.15	Excess Enthalpies in Binary Systems of Isomeric C8 Aliphatic Monoethers with Acetonitrile and Their Description by the COSMO-SAC Model
ρl	737.58	kg/m3	318.15	Excess Enthalpies in Binary Systems of Isomeric C8 Aliphatic Monoethers with Acetonitrile and Their Description by the COSMO-SAC Model
ρl	732.99	kg/m3	323.15	Excess Enthalpies in Binary Systems of Isomeric C8 Aliphatic Monoethers with Acetonitrile and Their Description by the COSMO-SAC Model

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[190.28; 451.09]	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			1.94340e+01
Coefficient B			7.06560e-01
Coefficient C			-3.03600e-04
Coefficient D			2.87000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	190.28	J/mol×K	273.00	Calculated Property
Cp,gas	232.67	J/mol×K	353.78	Calculated Property
Cp,gas	271.50	J/mol×K	434.56	Calculated Property
Cp,gas	306.85	J/mol×K	515.33	Calculated Property
Cp,gas	338.82	J/mol×K	596.11	Calculated Property
Cp,gas	367.49	J/mol×K	676.89	Calculated Property
Cp,gas	392.97	J/mol×K	757.67	Calculated Property
Cp,gas	415.33	J/mol×K	838.44	Calculated Property
Cp,gas	434.68	J/mol×K	919.22	Calculated Property
Cp,gas	451.09	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0071085; 0.0002181]	Pa×s	[187.15; 400.63]	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			-1.14847e+01
Coefficient B			1.22363e+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.			187.15
Temperature range, max.			400.63
η	0.0071085	Pa×s	187.15	Calculated Property
η	0.0034071	Pa×s	210.87	Calculated Property
η	0.0018948	Pa×s	234.59	Calculated Property
η	0.0011737	Pa×s	258.31	Calculated Property
η	0.0007880	Pa×s	282.03	Calculated Property
η	0.0005628	Pa×s	305.75	Calculated Property
η	0.0004219	Pa×s	329.47	Calculated Property
η	0.0003288	Pa×s	353.19	Calculated Property
η	0.0002644	Pa×s	376.91	Calculated Property
η	0.0002181	Pa×s	400.63	Calculated Property

Similar Compounds

Find more compounds similar to 1-(isobutoxy)butane.

Mixtures

• Acetonitrile + 1-(isobutoxy)butane

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• (Liquid + liquid) equilibrium in binary systems of isomeric C8 aliphatic monoethers with acetonitrile and its interpretation by the COSMO-SAC model
• Excess Enthalpies in Binary Systems of Isomeric C8 Aliphatic Monoethers with Acetonitrile and Their Description by the COSMO-SAC Model
• Joback Method
• McGowan Method
• NIST Webbook

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