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

102.18

CAS

628-81-9

Other Names

• 1-ethoxybutane
• 3-oxaheptane
• Ether ethylbutylique
• Ethyl n-butyl ether
• UN 1179
• butyl ethyl ether
• ether, butyl ethyl
• ether, ethyl butyl
• ethyl butyl ether
• 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).
• 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	-297.05	kJ/mol	Relay (1.0) 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	9.44	eV	Relay (1.0) Calculated Property
log10WS	-1.32		Relay (1.0) 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
Tboil	[364.70; 365.90]	K
Tboil	365.25	K	Vapor Liquid Equilibria Measurements for Di-n-Propyl Ether and Butyl Ethyl Ether with n-Heptane
Tboil	365.40	K	KDB
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	[181.92; 238.64]	J/mol×K	[359.30; 523.89]
Cp,gas	181.92	J/mol×K	359.30	Joback Calculated Property
Cp,gas	192.07	J/mol×K	386.73	Joback Calculated Property
Cp,gas	201.94	J/mol×K	414.16	Joback Calculated Property
Cp,gas	211.53	J/mol×K	441.59	Joback Calculated Property
Cp,gas	220.85	J/mol×K	469.02	Joback Calculated Property
Cp,gas	229.88	J/mol×K	496.46	Joback Calculated Property
Cp,gas	238.64	J/mol×K	523.89	Joback Calculated Property
η	[0.0003416; 0.0004796]	Pa×s	[283.15; 313.15]
η	0.0004796	Pa×s	283.15	Experimental and Predicted Viscosities of Binary Mixtures Containing Chlorinated and Oxygenated Compounds
η	0.0004509	Pa×s	288.15	Experimental and Predicted Viscosities of Binary Mixtures Containing Chlorinated and Oxygenated Compounds
η	0.0004242	Pa×s	293.15	Experimental and Predicted Viscosities of Binary Mixtures Containing Chlorinated and Oxygenated Compounds
η	0.0003990	Pa×s	298.15	Experimental and Predicted Viscosities of Binary Mixtures Containing Chlorinated and Oxygenated Compounds
η	0.0003756	Pa×s	303.15	Experimental and Predicted Viscosities of Binary Mixtures Containing Chlorinated and Oxygenated Compounds
η	0.0003560	Pa×s	308.15	Experimental and Predicted Viscosities of Binary Mixtures Containing Chlorinated and Oxygenated Compounds
η	0.0003416	Pa×s	313.15	Experimental and Predicted Viscosities of Binary Mixtures Containing Chlorinated and Oxygenated Compounds
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	Experimental and predicted properties of the binary mixtures containing an isomeric chlorobutane and butyl ethyl ether
Pvap	7.55	kPa	298.15	Experimental and predicted properties of the binary mixtures containing an isomeric chlorobutane and butyl ethyl ether
Pvap	12.24	kPa	308.15	Experimental and predicted properties of the binary mixtures containing an isomeric chlorobutane and butyl ethyl ether
Pvap	38.60	kPa	336.22	Vapor Liquid Equilibria Measurements for Di-n-Propyl Ether and Butyl Ethyl Ether with n-Heptane
Pvap	44.96	kPa	340.35	Vapor Liquid Equilibria Measurements for Di-n-Propyl Ether and Butyl Ethyl Ether with n-Heptane
Pvap	51.67	kPa	344.21	Vapor Liquid Equilibria Measurements for Di-n-Propyl Ether and Butyl Ethyl Ether with n-Heptane
Pvap	56.24	kPa	346.80	Vapor Liquid Equilibria Measurements for Di-n-Propyl Ether and Butyl Ethyl Ether with n-Heptane
Pvap	60.00	kPa	348.84	Vapor Liquid Equilibria Measurements for Di-n-Propyl Ether and Butyl Ethyl Ether with n-Heptane
Pvap	63.63	kPa	350.44	Vapor Liquid Equilibria Measurements for Di-n-Propyl Ether and Butyl Ethyl Ether with n-Heptane
Pvap	71.58	kPa	354.01	Vapor Liquid Equilibria Measurements for Di-n-Propyl Ether and Butyl Ethyl Ether with n-Heptane
Pvap	79.60	kPa	357.31	Vapor Liquid Equilibria Measurements for Di-n-Propyl Ether and Butyl Ethyl Ether with n-Heptane
Pvap	90.59	kPa	361.44	Vapor Liquid Equilibria Measurements for Di-n-Propyl Ether and Butyl Ethyl Ether with n-Heptane
Pvap	96.36	kPa	363.47	Vapor Liquid Equilibria Measurements for Di-n-Propyl Ether and Butyl Ethyl Ether with n-Heptane
Pvap	101.30	kPa	365.25	Vapor Liquid Equilibria Measurements for Di-n-Propyl Ether and Butyl Ethyl Ether with n-Heptane
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-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
λ	[0.09; 0.13]	W/m×K	[298.15; 354.63]
λ	0.13	W/m×K	298.15	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
λ	0.12	W/m×K	299.62	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
λ	0.12	W/m×K	312.17	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
λ	0.10	W/m×K	333.39	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
λ	0.09	W/m×K	354.63	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

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 Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
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 Vapor Pressure Data
Equation			ln(Y) = A + B/T + C·ln(T) + D·T² + E/T² Y is Pvap in kPa, T in K
Coefficient A			7.71283e+01
Coefficient B			-6.91569e+03
Coefficient C			-9.21874e+00
Coefficient D			6.10780e-06
Coefficient E			0.00000e+00
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

• Hexane, tetradecafluoro- + Butane, 1-ethoxy-
• 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
• Butane, 1-ethoxy- + Octadecafluorooctane

Sources

• KDB Vapor Pressure Data
• Cheméo Relay (1.0)
• 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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