Chemical Properties of Butane, 1,1'-[oxybis(2,1-ethanediyloxy)]bis- (CAS 112-73-2)

InChI

InChI=1S/C12H26O3/c1-3-5-7-13-9-11-15-12-10-14-8-6-4-2/h3-12H2,1-2H3

InChI Key

KZVBBTZJMSWGTK-UHFFFAOYSA-N

Formula

C12H26O3

SMILES

CCCCOCCOCCOCCCC

Molecular Weight¹

218.33

CAS

112-73-2

Other Names

• 2,2'-dibutoxyethyl ether
• 2-(2-butoxyethoxy)-1-butoxyethane
• 2-butoxyethyl ether
• 5,8,11-trioxapentadecane
• Butyl diglyme
• Dibutylether diethylenglykolu
• Diethylene glycol di-n-butyl ether
• Ether, bis(butoxyethyl)
• bis(2-butoxyethyl) ether
• butex
• dibutyl carbitol
• diethylene glycol dibutyl ether
• ether, bis(2-butoxyethyl)

• ω : Acentric Factor.
• T_ig : Autoignition Temperature (K).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid phase heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• T_flash,cc : Flash Point (Closed Cup Method) (K).
• 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.
• NFPA Safety : NFPA Safety Rating.
• P_c : Critical Pressure (kPa).
• P_vap : Vapor pressure (kPa).
• n₀ : Refractive Index.
• ρ_l : Liquid Density (kg/m³).
• I_p : Polar retention indices.
• γ : Surface Tension (N/m).
• 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	0.7115		Relay (1.0) Calculated Property
Tig	583.15	K	NCMS SOLV-DB
Tflash,cc	391.15	K	NCMS SOLV-DB
ΔfG°	-264.84	kJ/mol	Joback Calculated Property
ΔfH°gas	-667.39	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	30.40	kJ/mol	Joback Calculated Property
ΔvapH°	[55.65; 73.80]	kJ/mol
ΔvapH°	55.65	kJ/mol	NCMS SOLV-DB
ΔvapH°	73.80 ± 1.70	kJ/mol	NIST
IE	9.44	eV	Relay (1.0) Calculated Property
log10WS	-2.53		Relay (1.0) Calculated Property
logPoct/wat	3.115		NCMS SOLV-DB
McVol	197.550	ml/mol	McGowan Calculated Property
NFPA Fire	1		NCMS SOLV-DB
NFPA Health	1		NCMS SOLV-DB
NFPA Safety	0		NCMS SOLV-DB
Pc	1706.12	kPa	Joback Calculated Property
Ip	[1727.00; 1727.00]
Ip	1727.00		NIST
Ip	1727.00		NIST
Tboil	[529.15; 529.20]	K
Tboil	529.15	K	NCMS SOLV-DB
Tboil	529.20	K	NIST
Tboil	529.15	K	NIST
Tboil	529.15	K	NIST
Tc	687.10	K	Relay (1.0) Calculated Property
Tfus	[212.95; 213.15]	K
Tfus	213.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	213.15	K	NCMS SOLV-DB
Tfus	212.95	K	NIST
Tfus	212.95	K	NIST
Vc	0.769	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	[456.53; 517.89]	J/mol×K	[312.57; 421.48]
Cp,liquid	456.53	J/mol×K	312.57	Liquid Densities, Kinematic Viscosities, and Heat Capacities of Some Alkylene glycol Dialkyl Ethers
Cp,liquid	460.90	J/mol×K	322.47	Liquid Densities, Kinematic Viscosities, and Heat Capacities of Some Alkylene glycol Dialkyl Ethers
Cp,liquid	465.49	J/mol×K	332.37	Liquid Densities, Kinematic Viscosities, and Heat Capacities of Some Alkylene glycol Dialkyl Ethers
Cp,liquid	470.51	J/mol×K	342.27	Liquid Densities, Kinematic Viscosities, and Heat Capacities of Some Alkylene glycol Dialkyl Ethers
Cp,liquid	475.75	J/mol×K	352.18	Liquid Densities, Kinematic Viscosities, and Heat Capacities of Some Alkylene glycol Dialkyl Ethers
Cp,liquid	480.33	J/mol×K	362.08	Liquid Densities, Kinematic Viscosities, and Heat Capacities of Some Alkylene glycol Dialkyl Ethers
Cp,liquid	486.88	J/mol×K	371.98	Liquid Densities, Kinematic Viscosities, and Heat Capacities of Some Alkylene glycol Dialkyl Ethers
Cp,liquid	493.65	J/mol×K	381.88	Liquid Densities, Kinematic Viscosities, and Heat Capacities of Some Alkylene glycol Dialkyl Ethers
Cp,liquid	500.42	J/mol×K	391.78	Liquid Densities, Kinematic Viscosities, and Heat Capacities of Some Alkylene glycol Dialkyl Ethers
Cp,liquid	505.44	J/mol×K	401.68	Liquid Densities, Kinematic Viscosities, and Heat Capacities of Some Alkylene glycol Dialkyl Ethers
Cp,liquid	512.21	J/mol×K	411.58	Liquid Densities, Kinematic Viscosities, and Heat Capacities of Some Alkylene glycol Dialkyl Ethers
Cp,liquid	517.89	J/mol×K	421.48	Liquid Densities, Kinematic Viscosities, and Heat Capacities of Some Alkylene glycol Dialkyl Ethers
η	0.0023900	Pa×s	298.15	NCMS SOLV-DB
ΔvapH	56.60	kJ/mol	410.50	NIST
Pvap	[1.33e-03; 25.58]	kPa	[293.15; 473.15]
Pvap	1.33e-03	kPa	293.15	NCMS SOLV-DB
Pvap	2.50	kPa	403.15	Vapor Pressures of Morpholine, Diethyl Methylmalonate, and Five Glycol Ethers at Temperatures up to 473.15 K
Pvap	3.61	kPa	413.15	Vapor Pressures of Morpholine, Diethyl Methylmalonate, and Five Glycol Ethers at Temperatures up to 473.15 K
Pvap	5.26	kPa	423.15	Vapor Pressures of Morpholine, Diethyl Methylmalonate, and Five Glycol Ethers at Temperatures up to 473.15 K
Pvap	7.39	kPa	433.15	Vapor Pressures of Morpholine, Diethyl Methylmalonate, and Five Glycol Ethers at Temperatures up to 473.15 K
Pvap	10.43	kPa	443.15	Vapor Pressures of Morpholine, Diethyl Methylmalonate, and Five Glycol Ethers at Temperatures up to 473.15 K
Pvap	14.23	kPa	453.15	Vapor Pressures of Morpholine, Diethyl Methylmalonate, and Five Glycol Ethers at Temperatures up to 473.15 K
Pvap	16.61	kPa	458.15	Vapor Pressures of Morpholine, Diethyl Methylmalonate, and Five Glycol Ethers at Temperatures up to 473.15 K
Pvap	19.19	kPa	463.15	Vapor Pressures of Morpholine, Diethyl Methylmalonate, and Five Glycol Ethers at Temperatures up to 473.15 K
Pvap	22.18	kPa	468.15	Vapor Pressures of Morpholine, Diethyl Methylmalonate, and Five Glycol Ethers at Temperatures up to 473.15 K
Pvap	25.58	kPa	473.15	Vapor Pressures of Morpholine, Diethyl Methylmalonate, and Five Glycol Ethers at Temperatures up to 473.15 K
n0	1.42400		298.15	NCMS SOLV-DB
ρl	878.55	kg/m3	298.15	Speeds of Sound and Isentropic Compressibilities of n-Alkoxyethanols and Polyethers with Propylamine at 298.15K
γ	0.03	N/m	298.15	NCMS SOLV-DB

Datasets

Mass density, kg/m3

Fixed		Measured
Temperature, K - Liquid	Pressure, kPa - Liquid	Mass density, kg/m3 - Liquid
283.15	100.00	891.3
283.15	1000.00	891.8
283.15	3000.00	893.2
283.15	5000.00	894.3
283.15	10000.00	897.7
283.15	15000.00	900.9
283.15	20000.00	904.3
283.15	25000.00	906.9
283.15	30000.00	909.9
283.15	35000.00	912.8
283.15	40000.00	915.3
283.15	50000.00	920.5
283.15	60000.00	925.4
293.15	100.00	882.9
293.15	1000.00	883.1
293.15	3000.00	884.8
293.15	5000.00	885.9
293.15	10000.00	889.6
293.15	15000.00	892.9
293.15	20000.00	896.1
293.15	25000.00	899.3
293.15	30000.00	902.3
293.15	35000.00	905.1
293.15	40000.00	907.9
293.15	50000.00	913.6
293.15	60000.00	918.2
303.15	100.00	874.5
303.15	1000.00	875.1
303.15	3000.00	876.6
303.15	5000.00	878.2
303.15	10000.00	881.8
303.15	15000.00	885.2
303.15	20000.00	888.42
303.15	25000.00	891.8
303.15	30000.00	894.9
303.15	35000.00	897.9
303.15	40000.00	900.8
303.15	50000.00	906.4
303.15	60000.00	911.8
313.15	100.00	866.1
313.15	1000.00	866.41
313.15	3000.00	868.1
313.15	5000.00	869.8
313.15	10000.00	873.5
313.15	15000.00	877.2
313.15	20000.00	880.7
313.15	25000.00	884.1
313.15	30000.00	887.1
313.15	35000.00	890.5
313.15	40000.00	893.3
313.15	50000.00	899.4
313.15	60000.00	904.9
323.15	100.00	857.2
323.15	1000.00	858.2
323.15	3000.00	859.8
323.15	5000.00	861.5
323.15	10000.00	865.4
323.15	15000.00	869.2
323.15	20000.00	873.1
323.15	25000.00	876.5
323.15	30000.00	879.8
323.15	35000.00	883.1
323.15	40000.00	886.3
323.15	50000.00	892.4
323.15	60000.00	898.8
333.15	100.00	849.1
333.15	1000.00	850.0
333.15	3000.00	851.6
333.15	5000.00	853.3
333.15	10000.00	857.5
333.15	15000.00	861.4
333.15	20000.00	865.4
333.15	25000.00	869.0
333.15	30000.00	872.6
333.15	35000.00	875.9
333.15	40000.00	879.5
333.15	50000.00	885.5
333.15	60000.00	891.6
343.15	100.00	840.4
343.15	1000.00	841.7
343.15	3000.00	843.5
343.15	5000.00	845.5
343.15	10000.00	849.8
343.15	15000.00	853.7
343.15	20000.00	857.9
343.15	25000.00	861.6
343.15	30000.00	865.3
343.15	35000.00	868.9
343.15	40000.00	872.3
343.15	50000.00	878.9
343.15	60000.00	884.7
353.15	100.00	832.4
353.15	1000.00	833.0
353.15	3000.00	835.1
353.15	5000.00	836.7
353.15	10000.00	841.4
353.15	15000.00	846.0
353.15	20000.00	850.3
353.15	25000.00	854.0
353.15	30000.00	857.9
353.15	35000.00	861.6
353.15	40000.00	865.1
353.15	50000.00	871.5
353.15	60000.00	878.2
363.15	100.00	823.4
363.15	1000.00	824.8
363.15	3000.00	827.1
363.15	5000.00	828.7
363.15	10000.00	833.5
363.15	15000.00	838.4
363.15	20000.00	842.8
363.15	25000.00	846.8
363.15	30000.00	850.9
363.15	35000.00	854.9
363.15	40000.00	858.5
363.15	50000.00	865.6
363.15	60000.00	872.0
Reference

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[306.26; 693.92]	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			6.84800e+01
Coefficient B			9.54240e-01
Coefficient C			-2.96000e-04
Coefficient D			-3.28000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	306.26	J/mol×K	273.00	Calculated Property
Cp,gas	367.57	J/mol×K	353.78	Calculated Property
Cp,gas	424.56	J/mol×K	434.56	Calculated Property
Cp,gas	477.13	J/mol×K	515.33	Calculated Property
Cp,gas	525.18	J/mol×K	596.11	Calculated Property
Cp,gas	568.60	J/mol×K	676.89	Calculated Property
Cp,gas	607.29	J/mol×K	757.67	Calculated Property
Cp,gas	641.14	J/mol×K	838.44	Calculated Property
Cp,gas	670.05	J/mol×K	919.22	Calculated Property
Cp,gas	693.92	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[398.87; 559.05]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.69660e+01
Coefficient B			-6.19763e+03
Coefficient C			-2.72730e+01
Temperature range, min.			398.87
Temperature range, max.			559.05
Pvap	1.33	kPa	398.87	Calculated Property
Pvap	2.86	kPa	416.67	Calculated Property
Pvap	5.73	kPa	434.47	Calculated Property
Pvap	10.84	kPa	452.26	Calculated Property
Pvap	19.48	kPa	470.06	Calculated Property
Pvap	33.45	kPa	487.86	Calculated Property
Pvap	55.18	kPa	505.66	Calculated Property
Pvap	87.83	kPa	523.45	Calculated Property
Pvap	135.35	kPa	541.25	Calculated Property
Pvap	202.64	kPa	559.05	Calculated Property

Similar Compounds

Find more compounds similar to Butane, 1,1'-[oxybis(2,1-ethanediyloxy)]bis-.

Mixtures

• Propylamine + Butane, 1,1'-[oxybis(2,1-ethanediyloxy)]bis-
• Carbon dioxide + Butane, 1,1'-[oxybis(2,1-ethanediyloxy)]bis-

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Cheméo Relay (1.0)
• Crippen Method
• Speeds of Sound and Isentropic Compressibilities of n-Alkoxyethanols and Polyethers with Propylamine at 298.15K
• Densities of Diethylene Glycol, Monobutyl Ether, Diethylene Glycol Dibutyl Ether, and Ethylene Glycol Monobutyl Ether from (283.15 to 363.15) K at Pressures up to 60 MPa
• Solubility Measurement and Thermodynamic Properties Calculation for Several CO2 + Ether Absorbent Systems
• Liquid Densities, Kinematic Viscosities, and Heat Capacities of Some Alkylene glycol Dialkyl Ethers
• Vapor Pressures of Morpholine, Diethyl Methylmalonate, and Five Glycol Ethers at Temperatures up to 473.15 K
• Joback Method
• McGowan Method
• NIST Webbook
• NCMS SOLV-DB
• The Yaws Handbook of Vapor Pressure

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