Chemical Properties of Butane, 1-methoxy- (CAS 628-28-4)

InChI

InChI=1S/C5H12O/c1-3-4-5-6-2/h3-5H2,1-2H3

InChI Key

CXBDYQVECUFKRK-UHFFFAOYSA-N

Formula

C5H12O

SMILES

CCCCOC

Molecular Weight¹

88.15

CAS

628-28-4

Other Names

• .alpha.-methoxybutane
• 1-methoxybutane
• UN 2350
• butyl methyl ether
• ether, butyl methyl
• methyl butyl ether
• methyl n-butyl ether
• n-Butyl methyl ether
• n-C4H9OCH3
• «alpha»-Methoxybutane

• ω : Acentric Factor.
• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid phase 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_fH°_liquid : Liquid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_{(+) ion} : Enthalpy of formation of positive ion at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (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).
• P_vap : Vapor pressure (kPa).
• ρ_l : Liquid Density (kg/m³).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
• S°_gas : Molar entropy at standard conditions (J/mol×K).
• S°_liquid : Liquid phase molar entropy at standard conditions (J/mol×K).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• T_triple : Triple Point Temperature (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	0.3160		KDB
PAff	820.30	kJ/mol	NIST
BasG	791.20	kJ/mol	NIST
ΔcH°liquid	-3391.99	kJ/mol	NIST
μ	1.30	debye	KDB
ΔfG°	-113.78	kJ/mol	Joback Calculated Property
ΔfH°gas	-258.10 ± 1.10	kJ/mol	NIST
ΔfH°liquid	-290.50 ± 1.30	kJ/mol	NIST
ΔfH°(+) ion	640.00	kJ/mol	NIST
ΔfusH°	9.89	kJ/mol	Joback Calculated Property
ΔvapH°	[32.40; 32.53]	kJ/mol
ΔvapH°	32.53	kJ/mol	NIST
ΔvapH°	32.42	kJ/mol	NIST
ΔvapH°	32.40	kJ/mol	NIST
ΔvapH°	32.40	kJ/mol	NIST
ΔvapH°	32.46 ± 0.12	kJ/mol	NIST
ΔvapH°	32.50 ± 0.10	kJ/mol	NIST
IE	9.54	eV	NIST
log10WS	[-0.99; -0.99]
log10WS	-0.99		Aq. Solubility Prediction
log10WS	-0.99		Estimated Solubility
logPoct/wat	1.433		Crippen Calculated Property
McVol	87.180	ml/mol	McGowan Calculated Property
Pc	[3318.00; 3371.00]	kPa
Pc	3371.00	kPa	KDB
Pc	3371.00 ± 8.00	kPa	NIST
Pc	3318.00 ± 50.66	kPa	NIST
Inp	[594.00; 616.00]
Inp	594.00		NIST
Inp	601.00		NIST
Inp	600.00		NIST
Inp	616.00		NIST
Inp	615.00		NIST
Inp	602.30		NIST
Inp	604.40		NIST
Inp	616.00		NIST
I	[755.00; 755.00]
I	755.00		NIST
I	755.00		NIST
S°gas	390.10	J/mol×K	NIST
S°liquid	295.30	J/mol×K	NIST
Tboil	[335.00; 344.20]	K
Tboil	343.31	K	KDB
Tboil	344.20	K	NIST
Tboil	343.00	K	NIST
Tboil	343.30	K	NIST
Tboil	Outlier 335.00 ± 3.00	K	NIST
Tboil	343.90 ± 1.00	K	NIST
Tc	[512.72; 512.80]	K
Tc	512.78	K	KDB
Tc	512.80	K	NIST
Tc	512.78 ± 0.10	K	NIST
Tc	512.72 ± 1.00	K	NIST
Tfus	[157.60; 157.90]	K
Tfus	157.60	K	KDB
Tfus	157.90	K	Aq. Solubility Prediction
Ttriple	[157.48; 157.48]	K
Ttriple	157.48 ± 0.05	K	NIST
Ttriple	157.48 ± 0.05	K	NIST
Vc	[0.329; 0.329]	m3/kmol
Vc	0.329	m3/kmol	KDB
Vc	0.329 ± 0.003	m3/kmol	NIST
Zc	0.2601280		KDB

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[147.83; 196.68]	J/mol×K	[336.22; 500.48]
Cp,gas	147.83	J/mol×K	336.22	Joback Calculated Property
Cp,gas	156.52	J/mol×K	363.60	Joback Calculated Property
Cp,gas	164.99	J/mol×K	390.97	Joback Calculated Property
Cp,gas	173.24	J/mol×K	418.35	Joback Calculated Property
Cp,gas	181.27	J/mol×K	445.73	Joback Calculated Property
Cp,gas	189.09	J/mol×K	473.10	Joback Calculated Property
Cp,gas	196.68	J/mol×K	500.48	Joback Calculated Property
Cp,liquid	[192.48; 193.00]	J/mol×K	[298.15; 298.15]
Cp,liquid	192.48	J/mol×K	298.15	NIST
Cp,liquid	192.70	J/mol×K	298.15	NIST
Cp,liquid	193.00	J/mol×K	298.15	NIST
η	[0.0002124; 0.0030953]	Pa×s	[168.34; 336.22]
η	0.0030953	Pa×s	168.34	Joback Calculated Property
η	0.0014407	Pa×s	196.32	Joback Calculated Property
η	0.0008115	Pa×s	224.30	Joback Calculated Property
η	0.0005192	Pa×s	252.28	Joback Calculated Property
η	0.0003631	Pa×s	280.26	Joback Calculated Property
η	0.0002710	Pa×s	308.24	Joback Calculated Property
η	0.0002124	Pa×s	336.22	Joback Calculated Property
ΔfusH	[10.85; 10.85]	kJ/mol	[157.48; 157.50]
ΔfusH	10.85	kJ/mol	157.48	NIST
ΔfusH	10.85	kJ/mol	157.48	NIST
ΔfusH	10.85	kJ/mol	157.50	NIST
ΔfusH	10.85	kJ/mol	157.50	NIST
ΔvapH	[29.55; 32.50]	kJ/mol	[316.00; 343.30]
ΔvapH	29.60	kJ/mol	316.00	NIST
ΔvapH	32.40	kJ/mol	319.00	NIST
ΔvapH	32.50	kJ/mol	330.00	NIST
ΔvapH	29.55	kJ/mol	343.30	NIST
Pvap	[3.05; 101.96]	kPa	[262.99; 343.15]
Pvap	3.20	kPa	262.99	Isothermal (vapor + liquid) equilibria and excess enthalpy data of {1-hexene + methyl butyl ether (MBE)} and {1-hexene + methyl tert-butyl ether (MTBE)} binary systems at several temperatures
Pvap	3.05	kPa	263.15	Isothermal vapour liquid equilibria and excess molar enthalpies of hex-2-yne + methyl butyl ether and hex-3-yne + dibutyl ether mixtures
Pvap	3.19	kPa	263.15	Isothermal (vapor + liquid) equilibria and excess enthalpy data of {1-hexene + methyl butyl ether (MBE)} and {1-hexene + methyl tert-butyl ether (MTBE)} binary systems at several temperatures
Pvap	5.70	kPa	273.04	Isothermal (vapor + liquid) equilibria and excess enthalpy data of {1-hexene + methyl butyl ether (MBE)} and {1-hexene + methyl tert-butyl ether (MTBE)} binary systems at several temperatures
Pvap	5.44	kPa	273.15	Isothermal vapour liquid equilibria and excess molar enthalpies of hex-2-yne + methyl butyl ether and hex-3-yne + dibutyl ether mixtures
Pvap	5.70	kPa	273.15	Isothermal (vapor + liquid) equilibria and excess enthalpy data of {1-hexene + methyl butyl ether (MBE)} and {1-hexene + methyl tert-butyl ether (MTBE)} binary systems at several temperatures
Pvap	9.60	kPa	283.07	Isothermal (vapor + liquid) equilibria and excess enthalpy data of {1-hexene + methyl butyl ether (MBE)} and {1-hexene + methyl tert-butyl ether (MTBE)} binary systems at several temperatures
Pvap	9.21	kPa	283.15	Isothermal vapour liquid equilibria and excess molar enthalpies of hex-2-yne + methyl butyl ether and hex-3-yne + dibutyl ether mixtures
Pvap	9.69	kPa	283.15	Isothermal (vapor + liquid) equilibria and excess enthalpy data of {1-hexene + methyl butyl ether (MBE)} and {1-hexene + methyl tert-butyl ether (MTBE)} binary systems at several temperatures
Pvap	15.60	kPa	293.10	Isothermal (vapor + liquid) equilibria and excess enthalpy data of {1-hexene + methyl butyl ether (MBE)} and {1-hexene + methyl tert-butyl ether (MTBE)} binary systems at several temperatures
Pvap	14.93	kPa	293.15	Isothermal vapour liquid equilibria and excess molar enthalpies of hex-2-yne + methyl butyl ether and hex-3-yne + dibutyl ether mixtures
Pvap	15.74	kPa	293.15	Isothermal (vapor + liquid) equilibria and excess enthalpy data of {1-hexene + methyl butyl ether (MBE)} and {1-hexene + methyl tert-butyl ether (MTBE)} binary systems at several temperatures
Pvap	18.73	kPa	298.15	Isothermal vapour liquid equilibria and excess molar enthalpies of hex-2-yne + methyl butyl ether and hex-3-yne + dibutyl ether mixtures
Pvap	24.40	kPa	303.12	Isothermal (vapor + liquid) equilibria and excess enthalpy data of {1-hexene + methyl butyl ether (MBE)} and {1-hexene + methyl tert-butyl ether (MTBE)} binary systems at several temperatures
Pvap	23.30	kPa	303.15	Isothermal vapour liquid equilibria and excess molar enthalpies of hex-2-yne + methyl butyl ether and hex-3-yne + dibutyl ether mixtures
Pvap	24.61	kPa	303.15	Isothermal (vapor + liquid) equilibria and excess enthalpy data of {1-hexene + methyl butyl ether (MBE)} and {1-hexene + methyl tert-butyl ether (MTBE)} binary systems at several temperatures
Pvap	37.17	kPa	313.15	Isothermal (vapor + liquid) equilibria and excess enthalpy data of {1-hexene + methyl butyl ether (MBE)} and {1-hexene + methyl tert-butyl ether (MTBE)} binary systems at several temperatures
Pvap	35.15	kPa	313.15	Isothermal vapour liquid equilibria and excess molar enthalpies of hex-2-yne + methyl butyl ether and hex-3-yne + dibutyl ether mixtures
Pvap	36.80	kPa	313.16	Isothermal (vapor + liquid) equilibria and excess enthalpy data of {1-hexene + methyl butyl ether (MBE)} and {1-hexene + methyl tert-butyl ether (MTBE)} binary systems at several temperatures
Pvap	36.90	kPa	313.16	Isothermal (vapor + liquid) equilibria and excess enthalpy data of {1-hexene + methyl butyl ether (MBE)} and {1-hexene + methyl tert-butyl ether (MTBE)} binary systems at several temperatures
Pvap	51.45	kPa	323.15	Isothermal vapour liquid equilibria and excess molar enthalpies of hex-2-yne + methyl butyl ether and hex-3-yne + dibutyl ether mixtures
Pvap	54.46	kPa	323.15	Isothermal (vapor + liquid) equilibria and excess enthalpy data of {1-hexene + methyl butyl ether (MBE)} and {1-hexene + methyl tert-butyl ether (MTBE)} binary systems at several temperatures
Pvap	54.00	kPa	323.20	Isothermal (vapor + liquid) equilibria and excess enthalpy data of {1-hexene + methyl butyl ether (MBE)} and {1-hexene + methyl tert-butyl ether (MTBE)} binary systems at several temperatures
Pvap	73.31	kPa	333.15	Isothermal vapour liquid equilibria and excess molar enthalpies of hex-2-yne + methyl butyl ether and hex-3-yne + dibutyl ether mixtures
Pvap	77.64	kPa	333.15	Isothermal (vapor + liquid) equilibria and excess enthalpy data of {1-hexene + methyl butyl ether (MBE)} and {1-hexene + methyl tert-butyl ether (MTBE)} binary systems at several temperatures
Pvap	74.10	kPa	333.25	Isothermal (vapor + liquid) equilibria and excess enthalpy data of {1-hexene + methyl butyl ether (MBE)} and {1-hexene + methyl tert-butyl ether (MTBE)} binary systems at several temperatures
Pvap	101.96	kPa	343.15	Isothermal vapour liquid equilibria and excess molar enthalpies of hex-2-yne + methyl butyl ether and hex-3-yne + dibutyl ether mixtures
ρl	744.00	kg/m3	293.00	KDB
ΔfusS	[68.90; 68.90]	J/mol×K	[157.48; 157.48]
ΔfusS	68.90	J/mol×K	157.48	NIST
ΔfusS	68.90	J/mol×K	157.48	NIST

Datasets

Mass density, kg/m3

Fixed		Measured
Temperature, K - Liquid	Pressure, kPa - Liquid	Mass density, kg/m3 - Liquid
283.15	100.00	755.88
288.15	100.00	750.88
293.15	100.00	745.85
298.15	100.00	740.78
303.15	100.00	735.68
308.15	100.00	730.53
313.15	100.00	725.34
318.15	100.00	720.1
323.15	100.00	714.8
328.15	100.00	709.45
333.15	100.00	704.04
283.15	5000.00	760.82
288.15	5000.00	756.01
293.15	5000.00	751.18
298.15	5000.00	746.29
303.15	5000.00	741.39
308.15	5000.00	736.43
313.15	5000.00	731.47
318.15	5000.00	726.46
323.15	5000.00	721.41
328.15	5000.00	716.32
333.15	5000.00	711.19
283.15	10000.00	765.42
288.15	10000.00	760.78
293.15	10000.00	756.08
298.15	10000.00	751.36
303.15	10000.00	746.66
308.15	10000.00	741.88
313.15	10000.00	737.11
318.15	10000.00	732.32
323.15	10000.00	727.49
328.15	10000.00	722.64
333.15	10000.00	717.74
283.15	15000.00	769.77
288.15	15000.00	765.26
293.15	15000.00	760.71
298.15	15000.00	756.15
303.15	15000.00	751.6
308.15	15000.00	746.98
313.15	15000.00	742.4
318.15	15000.00	737.77
323.15	15000.00	733.12
328.15	15000.00	728.5
333.15	15000.00	723.77
283.15	20000.00	773.91
288.15	20000.00	769.53
293.15	20000.00	765.09
298.15	20000.00	760.68
303.15	20000.00	756.25
308.15	20000.00	751.8
313.15	20000.00	747.36
318.15	20000.00	742.89
323.15	20000.00	738.42
328.15	20000.00	733.93
333.15	20000.00	729.38
283.15	25000.00	777.86
288.15	25000.00	773.58
293.15	25000.00	769.27
298.15	25000.00	764.97
303.15	25000.00	760.68
308.15	25000.00	756.35
313.15	25000.00	752.04
318.15	25000.00	747.69
323.15	25000.00	743.37
328.15	25000.00	739.05
333.15	25000.00	734.64
283.15	30000.00	781.65
288.15	30000.00	777.48
293.15	30000.00	773.26
298.15	30000.00	769.08
303.15	30000.00	764.89
308.15	30000.00	760.67
313.15	30000.00	756.48
318.15	30000.00	752.27
323.15	30000.00	748.07
328.15	30000.00	743.83
333.15	30000.00	739.61
283.15	35000.00	785.29
288.15	35000.00	781.19
293.15	35000.00	777.09
298.15	35000.00	772.99
303.15	35000.00	768.9
308.15	35000.00	764.79
313.15	35000.00	760.7
318.15	35000.00	756.62
323.15	35000.00	752.53
328.15	35000.00	748.41
333.15	35000.00	744.31
283.15	40000.00	788.8
288.15	40000.00	784.79
293.15	40000.00	780.75
298.15	40000.00	776.76
303.15	40000.00	772.76
308.15	40000.00	768.74
313.15	40000.00	764.74
318.15	40000.00	760.76
323.15	40000.00	756.76
328.15	40000.00	752.76
333.15	40000.00	748.78
283.15	45000.00	792.18
288.15	45000.00	788.24
293.15	45000.00	784.3
298.15	45000.00	780.38
303.15	45000.00	776.46
308.15	45000.00	772.53
313.15	45000.00	768.63
318.15	45000.00	764.73
323.15	45000.00	760.83
328.15	45000.00	756.92
333.15	45000.00	753.01
283.15	50000.00	795.45
288.15	50000.00	791.57
293.15	50000.00	787.7
298.15	50000.00	783.87
303.15	50000.00	780.03
308.15	50000.00	776.18
313.15	50000.00	772.34
318.15	50000.00	768.51
323.15	50000.00	764.7
328.15	50000.00	760.91
333.15	50000.00	757.06
283.15	55000.00	798.61
288.15	55000.00	794.8
293.15	55000.00	791.0
298.15	55000.00	787.24
303.15	55000.00	783.46
308.15	55000.00	779.69
313.15	55000.00	775.93
318.15	55000.00	772.16
323.15	55000.00	768.43
328.15	55000.00	764.72
333.15	55000.00	760.97
283.15	60000.00	801.68
288.15	60000.00	797.94
293.15	60000.00	794.21
298.15	60000.00	790.51
303.15	60000.00	786.77
308.15	60000.00	783.07
313.15	60000.00	779.39
318.15	60000.00	775.71
323.15	60000.00	772.05
328.15	60000.00	768.39
333.15	60000.00	764.71
283.15	65000.00	804.67
288.15	65000.00	800.98
293.15	65000.00	797.33
298.15	65000.00	793.65
303.15	65000.00	790.0
308.15	65000.00	786.36
313.15	65000.00	782.73
318.15	65000.00	779.13
323.15	65000.00	775.54
328.15	65000.00	771.91
333.15	65000.00	768.34
Reference

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[251.29; 367.44]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.42391e+01
Coefficient B			-2.87959e+03
Coefficient C			-4.48890e+01
Temperature range, min.			251.29
Temperature range, max.			367.44
Pvap	1.33	kPa	251.29	Calculated Property
Pvap	3.03	kPa	264.20	Calculated Property
Pvap	6.29	kPa	277.10	Calculated Property
Pvap	12.08	kPa	290.01	Calculated Property
Pvap	21.73	kPa	302.91	Calculated Property
Pvap	36.98	kPa	315.82	Calculated Property
Pvap	59.96	kPa	328.72	Calculated Property
Pvap	93.22	kPa	341.63	Calculated Property
Pvap	139.69	kPa	354.53	Calculated Property
Pvap	202.65	kPa	367.44	Calculated Property
Pvap	[9.97; 3149.67]	kPa	[285.00; 508.44]	KDB Vapor Pressure Data
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			8.25169e+01
Coefficient B			-6.53559e+03
Coefficient C			-1.02658e+01
Coefficient D			9.13606e-06
Temperature range, min.			285.00
Temperature range, max.			508.44
Pvap	9.97	kPa	285.00	Calculated Property
Pvap	30.42	kPa	309.83	Calculated Property
Pvap	76.32	kPa	334.65	Calculated Property
Pvap	165.08	kPa	359.48	Calculated Property
Pvap	318.64	kPa	384.31	Calculated Property
Pvap	563.04	kPa	409.13	Calculated Property
Pvap	928.61	kPa	433.96	Calculated Property
Pvap	1451.04	kPa	458.79	Calculated Property
Pvap	2173.46	kPa	483.61	Calculated Property
Pvap	3149.67	kPa	508.44	Calculated Property

Similar Compounds

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

Mixtures

• 1-Hexene + Butane, 1-methoxy-
• Hexane, tetradecafluoro- + Butane, 1-methoxy-
• Butane, 1-methoxy- + 2-Hexyne
• Butane, 1-methoxy- + Octadecafluorooctane

Sources

• KDB Vapor Pressure Data
• Crippen Method
• Isothermal vapour liquid equilibria and excess molar enthalpies of hex-2-yne + methyl butyl ether and hex-3-yne + dibutyl ether mixtures
• Thermodynamic study of perfluorohexane + ether mixtures VLE, LLE, and HE
• Experimental and modeled volumetric behavior of linear and branched ethers
• Isothermal (vapor + liquid) equilibria and excess enthalpy data of {1-hexene + methyl butyl ether (MBE)} and {1-hexene + methyl tert-butyl ether (MTBE)} binary systems at several temperatures
• Phase Separation in Binary Mixtures Containing Linear Perfluoroalkanes
• Joback Method
• KDB
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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