Chemical Properties of 1-Tert-butoxybutane (CAS 1000-63-1)

InChI

InChI=1S/C8H18O/c1-5-6-7-9-8(2,3)4/h5-7H2,1-4H3

InChI Key

JJNQHLLBFBGKEL-UHFFFAOYSA-N

Formula

C8H18O

SMILES

CCCCOC(C)(C)C

Molecular Weight¹

130.23

CAS

1000-63-1

Other Names

• 1,1-dimethyl-1-butoxyethane
• 1-(1,1-dimethylethoxy)butane
• 1-butyl tert-butyl ether
• 2,2-dimethyl-3-oxaheptane
• butane, 1-(1,1-dimethylethoxy)-
• butyl 1,1-dimethylethyl ether
• butyl tert-butyl ether
• ethane, 1-butoxy-1,1-dimethyl-
• ether, butyl tert-butyl
• n-butyl tert-butyl ether
• tert-butyl butyl 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).
• 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).
• n₀ : Refractive Index.
• 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	0.3839		Relay (1.0) Calculated Property
ΔcH°liquid	-5317.30 ± 1.50	kJ/mol	NIST
ΔfG°	-85.68	kJ/mol	Joback Calculated Property
ΔfH°gas	-361.00 ± 1.90	kJ/mol	NIST
ΔfH°liquid	-403.30 ± 1.90	kJ/mol	NIST
ΔfusH°	10.25	kJ/mol	Joback Calculated Property
ΔvapH°	[41.60; 43.20]	kJ/mol
ΔvapH°	43.20	kJ/mol	NIST
ΔvapH°	41.60 ± 0.20	kJ/mol	NIST
ΔvapH°	42.30 ± 0.30	kJ/mol	NIST
ΔvapH°	42.33 ± 0.25	kJ/mol	NIST
ΔvapH°	42.30 ± 0.30	kJ/mol	NIST
ΔvapH°	42.33 ± 0.25	kJ/mol	NIST
IE	9.21	eV	Relay (1.0) Calculated Property
log10WS	-1.81		Relay (1.0) Calculated Property
logPoct/wat	2.602		Crippen Calculated Property
McVol	129.450	ml/mol	McGowan Calculated Property
Pc	2540.49	kPa	Joback Calculated Property
Inp	[796.00; 803.00]
Inp	796.20		NIST
Inp	796.00		NIST
Inp	803.00		NIST
Inp	803.00		NIST
Tboil	[395.65; 397.15]	K
Tboil	395.65	K	Isobaric vapor liquid equilibria of 1,1-dimethylethoxy-butane + methanol or ethanol +water at 101.32 kPa
Tboil	397.15 ± 4.00	K	NIST
Tboil	397.00 ± 2.00	K	NIST
Tc	557.23	K	Relay (1.0) Calculated Property
Tfus	159.90	K	Relay (1.0) Calculated Property
Vc	0.491	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ΔvapH	[38.30; 41.70]	kJ/mol	[345.00; 376.50]
ΔvapH	41.70	kJ/mol	345.00	NIST
ΔvapH	38.30	kJ/mol	376.50	NIST
n0	1.39170		298.10	PHYSICAL AND EXCESS PROPERTIES OF BINARY AND TERNARY MIXTURES OF 1,1-DIMETHYLETHOXY-BUTANE, METHANOL, ETHANOL AND WATER AT 298.15K.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[189.14; 452.02]	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			-3.35700e+00
Coefficient B			8.26480e-01
Coefficient C			-4.72200e-04
Coefficient D			1.01100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	189.14	J/mol×K	273.00	Calculated Property
Cp,gas	234.41	J/mol×K	353.78	Calculated Property
Cp,gas	274.92	J/mol×K	434.56	Calculated Property
Cp,gas	310.99	J/mol×K	515.33	Calculated Property
Cp,gas	342.94	J/mol×K	596.11	Calculated Property
Cp,gas	371.08	J/mol×K	676.89	Calculated Property
Cp,gas	395.74	J/mol×K	757.67	Calculated Property
Cp,gas	417.24	J/mol×K	838.44	Calculated Property
Cp,gas	435.89	J/mol×K	919.22	Calculated Property
Cp,gas	452.02	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0073558; 0.0002365]	Pa×s	[204.57; 403.47]	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			-1.18847e+01
Coefficient B			1.42635e+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.			204.57
Temperature range, max.			403.47
η	0.0073558	Pa×s	204.57	Calculated Property
η	0.0037274	Pa×s	226.67	Calculated Property
η	0.0021312	Pa×s	248.77	Calculated Property
η	0.0013349	Pa×s	270.87	Calculated Property
η	0.0008973	Pa×s	292.97	Calculated Property
η	0.0006377	Pa×s	315.07	Calculated Property
η	0.0004740	Pa×s	337.17	Calculated Property
η	0.0003654	Pa×s	359.27	Calculated Property
η	0.0002903	Pa×s	381.37	Calculated Property
η	0.0002365	Pa×s	403.47	Calculated Property

Similar Compounds

Find more compounds similar to 1-Tert-butoxybutane.

Mixtures

• Ethanol + 1-Tert-butoxybutane
• 1-Tert-butoxybutane + Methyl Alcohol
• Ethanol + 1-Tert-butoxybutane + Water
• 1-Tert-butoxybutane + Methyl Alcohol + Water

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Isobaric vapor liquid equilibria of 1,1-dimethylethoxy-butane + methanol or ethanol +water at 101.32 kPa
• PHYSICAL AND EXCESS PROPERTIES OF BINARY AND TERNARY MIXTURES OF 1,1-DIMETHYLETHOXY-BUTANE, METHANOL, ETHANOL AND WATER AT 298.15K.
• Thermodynamic Analysis of the Experimental Equilibria for the Liquid-Phase Etherification of Isobutene with C1 to C4 Linear Primary Alcohols
• Thermochemistry of Benzyl Alcohol: Reaction Equilibria Involving Benzyl Alcohol and tert-Alkyl Ethers
• Joback Method
• McGowan Method
• NIST Webbook

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