Chemical Properties of Butane, 1-ethoxy- (CAS 628-81-9)

InChI

InChI=1S/C6H14O/c1-3-5-6-7-4-2/h3-6H2,1-2H3

InChI Key

PZHIWRCQKBBTOW-UHFFFAOYSA-N

Formula

C6H14O

SMILES

CCCCOCC

Molecular Weight¹

102.17

CAS

628-81-9

Other Names

• 1-ETHOXYBUTANE
• 3-oxaheptane
• Butyl ethyl ether
• ETHYL BUTYL ETHER
• ETHYL N-BUTYL ETHER
• Ether ethylbutylique
• Ether, butyl ethyl
• UN 1179
• ether, ethyl butyl
• n-Butyl ethyl ether
• n-C4H9OC2H5

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• μ : Dipole Moment (debye).
• 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).
• NFPA Fire : NFPA Fire Rating.
• NFPA Health : NFPA Health Rating.
• P_c : Critical Pressure (kPa).
• P_vap : Vapor pressure (kPa).
• ρ_l : Liquid Density (kg/m³).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• λ : Liquid thermal conductivity (W/m×K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• Z_c : Critical Compressibility.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.4000		KDB
μ	1.20	debye	KDB
ΔfG°	-105.36	kJ/mol	Joback Calculated Property
ΔfH°gas	-299.39	kJ/mol	Joback Calculated Property
ΔfusH°	12.48	kJ/mol	Joback Calculated Property
ΔvapH°	[36.30; 36.50]	kJ/mol
ΔvapH°	36.41	kJ/mol	NIST
ΔvapH°	36.30 ± 0.10	kJ/mol	NIST
ΔvapH°	36.50	kJ/mol	NIST
IE	[9.30; 9.53]	eV
IE	9.30 ± 0.10	eV	NIST
IE	9.36	eV	NIST
IE	9.53	eV	NIST
log10WS	-1.42		Crippen Calculated Property
logPoct/wat	1.823		Crippen Calculated Property
McVol	101.270	ml/mol	McGowan Calculated Property
NFPA Fire	3		KDB
NFPA Health	2		KDB
Pc	3040.00	kPa	KDB
Inp	[648.00; 685.00]
Inp	669.00		NIST
Inp	665.00		NIST
Inp	669.00		NIST
Inp	668.00		NIST
Inp	684.00		NIST
Inp	684.00		NIST
Inp	Outlier 648.00		NIST
Inp	685.00		NIST
Inp	668.70		NIST
Inp	673.30		NIST
Inp	684.00		NIST
I	[780.00; 788.00]
I	780.00		NIST
I	788.00		NIST
I	788.00		NIST
I	780.00		NIST
Tboil	[364.70; 365.90]	K
Tboil	365.40	K	KDB
Tboil	365.25	K	Vapor L...
Tboil	364.70	K	NIST
Tboil	365.40	K	NIST
Tboil	365.20 ± 0.60	K	NIST
Tboil	365.50 ± 0.40	K	NIST
Tboil	365.90 ± 0.15	K	NIST
Tc	[531.00; 531.00]	K
Tc	531.00	K	KDB
Tc	531.00	K	NIST
Tfus	170.00	K	KDB
Vc	0.390	m3/kmol	KDB
Zc	0.2685390		KDB

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[181.85; 238.55]	J/mol×K	[359.10; 523.60]
Cp,gas	181.85	J/mol×K	359.10	Joback Calculated Property
Cp,gas	191.99	J/mol×K	386.52	Joback Calculated Property
Cp,gas	201.86	J/mol×K	413.93	Joback Calculated Property
Cp,gas	211.45	J/mol×K	441.35	Joback Calculated Property
Cp,gas	220.76	J/mol×K	468.76	Joback Calculated Property
Cp,gas	229.79	J/mol×K	496.18	Joback Calculated Property
Cp,gas	238.55	J/mol×K	523.60	Joback Calculated Property
η	[0.0003416; 0.0004796]	Pa×s	[283.15; 313.15]
η	0.0004796	Pa×s	283.15	Experim...
η	0.0004509	Pa×s	288.15	Experim...
η	0.0004242	Pa×s	293.15	Experim...
η	0.0003990	Pa×s	298.15	Experim...
η	0.0003756	Pa×s	303.15	Experim...
η	0.0003560	Pa×s	308.15	Experim...
η	0.0003416	Pa×s	313.15	Experim...
ΔvapH	[31.63; 36.32]	kJ/mol	[29.15; 365.40]
ΔvapH	36.32	kJ/mol	29.15	NIST
ΔvapH	35.20	kJ/mol	338.00	NIST
ΔvapH	32.10	kJ/mol	338.00	NIST
ΔvapH	31.63	kJ/mol	365.40	NIST
Pvap	[4.47; 101.30]	kPa	[288.15; 365.25]
Pvap	4.47	kPa	288.15	Experim...
Pvap	7.55	kPa	298.15	Experim...
Pvap	12.24	kPa	308.15	Experim...
Pvap	38.60	kPa	336.22	Vapor L...
Pvap	44.96	kPa	340.35	Vapor L...
Pvap	51.67	kPa	344.21	Vapor L...
Pvap	56.24	kPa	346.80	Vapor L...
Pvap	60.00	kPa	348.84	Vapor L...
Pvap	63.63	kPa	350.44	Vapor L...
Pvap	71.58	kPa	354.01	Vapor L...
Pvap	79.60	kPa	357.31	Vapor L...
Pvap	90.59	kPa	361.44	Vapor L...
Pvap	96.36	kPa	363.47	Vapor L...
Pvap	101.30	kPa	365.25	Vapor L...
ρl	[745.30; 749.00]	kg/m3	[293.00; 298.15]
ρl	749.00	kg/m3	293.00	KDB
ρl	745.30	kg/m3	298.15	Vapor-L...
λ	[0.09; 0.13]	W/m×K	[298.15; 354.63]
λ	0.13	W/m×K	298.15	Density...
λ	0.12	W/m×K	299.62	Density...
λ	0.12	W/m×K	312.17	Density...
λ	0.10	W/m×K	333.39	Density...
λ	0.09	W/m×K	354.63	Density...

Datasets

Mass density, kg/m3

Fixed		Measured
Temperature, K - Liquid	Pressure, kPa - Liquid	Mass density, kg/m3 - Liquid
283.15	100.00	759.63
288.15	100.00	754.84
293.15	100.00	750.02
298.15	100.00	745.17
303.15	100.00	740.3
308.15	100.00	735.39
313.15	100.00	730.45
318.15	100.00	725.44
323.15	100.00	720.43
328.15	100.00	715.37
333.15	100.00	710.26
283.15	5000.00	764.45
288.15	5000.00	759.82
293.15	5000.00	755.18
298.15	5000.00	750.51
303.15	5000.00	745.81
308.15	5000.00	741.09
313.15	5000.00	736.34
318.15	5000.00	731.57
323.15	5000.00	726.77
328.15	5000.00	721.95
333.15	5000.00	717.05
283.15	10000.00	768.96
288.15	10000.00	764.48
293.15	10000.00	759.98
298.15	10000.00	755.44
303.15	10000.00	750.9
308.15	10000.00	746.35
313.15	10000.00	741.76
318.15	10000.00	737.2
323.15	10000.00	732.59
328.15	10000.00	727.94
333.15	10000.00	723.28
283.15	15000.00	773.2
288.15	15000.00	768.83
293.15	15000.00	764.45
298.15	15000.00	760.05
303.15	15000.00	755.66
308.15	15000.00	751.24
313.15	15000.00	746.82
318.15	15000.00	742.41
323.15	15000.00	738.0
328.15	15000.00	733.52
333.15	15000.00	729.03
283.15	20000.00	777.2
288.15	20000.00	772.96
293.15	20000.00	768.69
298.15	20000.00	764.43
303.15	20000.00	760.15
308.15	20000.00	755.87
313.15	20000.00	751.59
318.15	20000.00	747.31
323.15	20000.00	743.03
328.15	20000.00	738.72
333.15	20000.00	734.4
283.15	25000.00	781.05
288.15	25000.00	776.9
293.15	25000.00	772.75
298.15	25000.00	768.58
303.15	25000.00	764.45
308.15	25000.00	760.26
313.15	25000.00	756.09
318.15	25000.00	751.96
323.15	25000.00	747.78
328.15	25000.00	743.64
333.15	25000.00	739.43
283.15	30000.00	784.72
288.15	30000.00	780.66
293.15	30000.00	776.62
298.15	30000.00	772.55
303.15	30000.00	768.49
308.15	30000.00	764.45
313.15	30000.00	760.38
318.15	30000.00	756.38
323.15	30000.00	752.29
328.15	30000.00	748.27
333.15	30000.00	744.2
283.15	35000.00	788.24
288.15	35000.00	784.28
293.15	35000.00	780.33
298.15	35000.00	776.36
303.15	35000.00	772.35
308.15	35000.00	768.44
313.15	35000.00	764.5
318.15	35000.00	760.54
323.15	35000.00	756.59
328.15	35000.00	752.68
333.15	35000.00	748.71
283.15	40000.00	791.65
288.15	40000.00	787.77
293.15	40000.00	783.87
298.15	40000.00	780.01
303.15	40000.00	776.1
308.15	40000.00	772.26
313.15	40000.00	768.36
318.15	40000.00	764.55
323.15	40000.00	760.68
328.15	40000.00	756.87
333.15	40000.00	753.02
283.15	45000.00	794.97
288.15	45000.00	791.13
293.15	45000.00	787.34
298.15	45000.00	783.52
303.15	45000.00	779.71
308.15	45000.00	775.95
313.15	45000.00	772.14
318.15	45000.00	768.4
323.15	45000.00	764.61
328.15	45000.00	760.88
333.15	45000.00	757.13
283.15	50000.00	798.13
288.15	50000.00	794.37
293.15	50000.00	790.66
298.15	50000.00	786.91
303.15	50000.00	783.18
308.15	50000.00	779.48
313.15	50000.00	775.74
318.15	50000.00	772.07
323.15	50000.00	768.4
328.15	50000.00	764.73
333.15	50000.00	761.02
283.15	55000.00	801.25
288.15	55000.00	797.51
293.15	55000.00	793.86
298.15	55000.00	790.19
303.15	55000.00	786.51
308.15	55000.00	782.89
313.15	55000.00	779.22
318.15	55000.00	775.65
323.15	55000.00	771.97
328.15	55000.00	768.42
333.15	55000.00	764.8
283.15	60000.00	804.23
288.15	60000.00	800.57
293.15	60000.00	796.96
298.15	60000.00	793.36
303.15	60000.00	789.75
308.15	60000.00	786.19
313.15	60000.00	782.57
318.15	60000.00	779.08
323.15	60000.00	775.47
328.15	60000.00	771.99
333.15	60000.00	768.41
283.15	65000.00	807.14
288.15	65000.00	803.54
293.15	65000.00	799.99
298.15	65000.00	796.44
303.15	65000.00	792.89
308.15	65000.00	789.36
313.15	65000.00	785.85
318.15	65000.00	782.35
323.15	65000.00	778.87
328.15	65000.00	775.41
333.15	65000.00	771.92
Reference

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[272.68; 386.73]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.54411e+01
Coefficient B			-3.48473e+03
Coefficient C			-4.27170e+01
Temperature range, min.			272.68
Temperature range, max.			386.73
Pvap	1.33	kPa	272.68	Calculated Property
Pvap	2.94	kPa	285.35	Calculated Property
Pvap	6.00	kPa	298.02	Calculated Property
Pvap	11.44	kPa	310.70	Calculated Property
Pvap	20.58	kPa	323.37	Calculated Property
Pvap	35.20	kPa	336.04	Calculated Property
Pvap	57.56	kPa	348.71	Calculated Property
Pvap	90.54	kPa	361.39	Calculated Property
Pvap	137.55	kPa	374.06	Calculated Property
Pvap	202.63	kPa	386.73	Calculated Property
Pvap	[2.27e-05; 2925.25]	kPa	[170.15; 531.00]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			7.71283e+01
Coefficient B			-6.91569e+03
Coefficient C			-9.21874e+00
Coefficient D			6.10780e-06
Temperature range, min.			170.15
Temperature range, max.			531.00
Pvap	2.27e-05	kPa	170.15	Calculated Property
Pvap	8.23e-03	kPa	210.24	Calculated Property
Pvap	0.36	kPa	250.34	Calculated Property
Pvap	4.71	kPa	290.43	Calculated Property
Pvap	29.88	kPa	330.53	Calculated Property
Pvap	118.75	kPa	370.62	Calculated Property
Pvap	344.81	kPa	410.72	Calculated Property
Pvap	806.62	kPa	450.81	Calculated Property
Pvap	1621.21	kPa	490.91	Calculated Property
Pvap	2925.25	kPa	531.00	Calculated Property

Similar Compounds

Find more compounds similar to Butane, 1-ethoxy-.

Mixtures

• Butane, 1-ethoxy- + Butane, 1-chloro-
• Butane, 1-ethoxy- + Butane, 2-chloro-
• Butane, 1-ethoxy- + Propane, 1-chloro-2-methyl-
• Butane, 1-ethoxy- + Propane, 2-chloro-2-methyl-
• Butane, 1-ethoxy- + Heptane
• Hexane, tetradecafluoro- + Butane, 1-ethoxy-
• Butane, 1-ethoxy- + Perfluorooctane

Sources

• KDB Pure (Korean Thermophysical Properties Databank)
• KDB Vapor Pressure Data
• Crippen Method
• Crippen Method
• Experimental and Predicted Viscosities of Binary Mixtures Containing Chlorinated and Oxygenated Compounds
• Thermodynamic study of perfluorohexane + ether mixtures VLE, LLE, and HE
• Experimental and modeled volumetric behavior of linear and branched ethers
• Experimental and predicted properties of the binary mixtures containing an isomeric chlorobutane and butyl ethyl ether
• Vapor Liquid Equilibria Measurements for Di-n-Propyl Ether and Butyl Ethyl Ether with n-Heptane
• Phase Separation in Binary Mixtures Containing Linear Perfluoroalkanes
• Vapor-Liquid Equilibrium Data for the Binary Decafluoropentane (HFC-43-10meec) + Heptane, Decafluoropentane + Butyl Ethyl Ether, Octafluorobutane (HFC-338pcc) + Butyl Ethyl Ether, and Heptafluoro Propyl Methyl Ether (HFE-347mcc) + HFC-338pcc Systems at 101.3 kPa
• Density, Viscosity, and Thermal Conductivity of Mixtures of 1-Ethoxy-1,1,2,2,3,3,4,4,4-nonafluorobutane (HFE 7200) with Methanol and 1-Ethoxybutane
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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