Chemical Properties of 1,2-Dibutoxyethane (CAS 112-48-1)

InChI

InChI=1S/C10H22O2/c1-3-5-7-11-9-10-12-8-6-4-2/h3-10H2,1-2H3

InChI Key

GDXHBFHOEYVPED-UHFFFAOYSA-N

Formula

C10H22O2

SMILES

CCCCOCCOCCCC

Molecular Weight¹

174.28

CAS

112-48-1

Other Names

• 1-(2-Butoxyethoxy)butane
• 5,8-dioxadodecane
• Butane, 1,1'-[1,2-ethanediylbis(oxy)]bis-
• Dibutyl Oxitol
• Dibutyl cellosolve
• Dibutylether ethylenglykolu
• Ethyl glycol dibutyl ether
• Ethylene glycol di-n-butyl ether
• Glycol dibutyl ether
• butane, 1,1'-(1,2-ethanediylbis(oxy))bis-
• ethane, 1,2-dibutoxy-
• ethylene glycol dibutyl ether

• ω : Acentric Factor.
• C_p,gas : Ideal gas 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_np : Non-polar retention indices.
• I_p : 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	0.6026		Relay (1.0) Calculated Property
Tflash,cc	358.15	K	NCMS SOLV-DB
ΔfG°	-176.68	kJ/mol	Joback Calculated Property
ΔfH°gas	-500.45	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	24.03	kJ/mol	Joback Calculated Property
ΔvapH°	[58.74; 58.80]	kJ/mol
ΔvapH°	58.74	kJ/mol	NCMS SOLV-DB
ΔvapH°	58.76	kJ/mol	NIST
ΔvapH°	58.76 ± 0.08	kJ/mol	NIST
ΔvapH°	58.80 ± 0.10	kJ/mol	NIST
IE	9.44	eV	Relay (1.0) Calculated Property
log10WS	-2.51		Relay (1.0) Calculated Property
logPoct/wat	3.050		NCMS SOLV-DB
McVol	163.500	ml/mol	McGowan Calculated Property
NFPA Fire	2		NCMS SOLV-DB
NFPA Health	1		NCMS SOLV-DB
NFPA Safety	0		NCMS SOLV-DB
Pc	2043.76	kPa	Joback Calculated Property
Inp	[1117.00; 1160.00]
Inp	1160.00		NIST
Inp	1117.00		NIST
Inp	1130.00		NIST
Inp	1144.00		NIST
Ip	[1348.00; 1359.00]
Ip	1359.00		NIST
Ip	1348.00		NIST
Ip	1359.00		NIST
Ip	1348.00		NIST
Tboil	[469.00; 478.95]	K
Tboil	476.45	K	NCMS SOLV-DB
Tboil	478.95 ± 1.50	K	NIST
Tboil	474.00 ± 4.00	K	NIST
Tboil	469.00 ± 5.00	K	NIST
Tc	644.38	K	Relay (1.0) Calculated Property
Tfus	[204.05; 204.05]	K
Tfus	204.05	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	204.05	K	NCMS SOLV-DB
Vc	0.635	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
η	0.0140400	Pa×s	298.15	NCMS SOLV-DB
ΔvapH	55.90	kJ/mol	416.00	NIST
Pvap	1.33	kPa	357.15	NCMS SOLV-DB
n0	1.41100		298.15	NCMS SOLV-DB
ρl	[849.30; 859.90]	kg/m3	[273.15; 283.15]
ρl	859.90	kg/m3	273.15	Solubility Measurement and Thermodynamic Properties Calculation for Several CO2 + Ether Absorbent Systems
ρl	849.30	kg/m3	283.15	Solubility Measurement and Thermodynamic Properties Calculation for Several CO2 + Ether Absorbent Systems

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[248.43; 572.24]	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			4.47980e+01
Coefficient B			8.27440e-01
Coefficient C			-2.98200e-04
Coefficient D			-1.80000e-09
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	248.43	J/mol×K	273.00	Calculated Property
Cp,gas	300.13	J/mol×K	353.78	Calculated Property
Cp,gas	347.91	J/mol×K	434.56	Calculated Property
Cp,gas	391.77	J/mol×K	515.33	Calculated Property
Cp,gas	431.70	J/mol×K	596.11	Calculated Property
Cp,gas	467.70	J/mol×K	676.89	Calculated Property
Cp,gas	499.75	J/mol×K	757.67	Calculated Property
Cp,gas	527.87	J/mol×K	838.44	Calculated Property
Cp,gas	552.03	J/mol×K	919.22	Calculated Property
Cp,gas	572.24	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.62]	kPa	[367.26; 505.22]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.60047e+01
Coefficient B			-4.61545e+03
Coefficient C			-7.36030e+01
Temperature range, min.			367.26
Temperature range, max.			505.22
Pvap	1.33	kPa	367.26	Calculated Property
Pvap	2.91	kPa	382.59	Calculated Property
Pvap	5.89	kPa	397.92	Calculated Property
Pvap	11.20	kPa	413.25	Calculated Property
Pvap	20.14	kPa	428.58	Calculated Property
Pvap	34.49	kPa	443.90	Calculated Property
Pvap	56.61	kPa	459.23	Calculated Property
Pvap	89.45	kPa	474.56	Calculated Property
Pvap	136.67	kPa	489.89	Calculated Property
Pvap	202.62	kPa	505.22	Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Dibutoxyethane.

Mixtures

• Carbon dioxide + 1,2-Dibutoxyethane

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
• Solubility Measurement and Thermodynamic Properties Calculation for Several CO2 + Ether Absorbent Systems
• Joback Method
• McGowan Method
• NIST Webbook
• NCMS SOLV-DB
• The Yaws Handbook of Vapor Pressure

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