Chemical Properties of Ethanol, 2-(2-butoxyethoxy)-, acetate (CAS 124-17-4)

InChI

InChI=1S/C10H20O4/c1-3-4-5-12-6-7-13-8-9-14-10(2)11/h3-9H2,1-2H3

InChI Key

VXQBJTKSVGFQOL-UHFFFAOYSA-N

Formula

C10H20O4

SMILES

CCCCOCCOCCOC(C)=O

Molecular Weight¹

204.26

CAS

124-17-4

Other Names

• 1-Butoxy-2-(2-acetoxyethoxy)-ethane
• 2-(2-Butoxyethoxy)ethanol acetate
• 2-(2-Butoxyethoxy)ethylester kyseliny octove
• 2-(2-butoxyethoxy)ethyl acetate
• 2-(2-butoxyethoxy)ethyl ethanoate
• Acetic acid 2-(2-butoxyethoxy)ethyl ester
• Butoxyethanol acetate
• Butoxyethoxyethyl acetate
• Butyl diethylene glycol acetate
• Butyl diglycol acetate
• Butylkarbitolacetat
• DE acetate
• Db acetate
• Dba
• Diethylene glycol mono-n-butyl ether acetate
• Eastman db acetate
• Ektasolve DB acetate
• Ethanol, 2-(2-butoxyethoxy)-, 1-acetate
• Glycol ether DB aceatate
• NSC 5175
• butyl carbitol acetate
• diethylene glycol acetate butyl ether
• diethylene glycol butyl ether acetate
• diethylene glycol monobutyl ether acetate
• diethylene glycol monobutyl ether ethanoate
• diglycol monobutyl ether acetate

• ω : Acentric Factor.
• T_ig : Autoignition Temperature (K).
• 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_fH°_solid : Solid phase 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.
• I_np : Non-polar retention indices.
• 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	0.7837		PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Tig	568.15	K	NCMS SOLV-DB
Tflash,cc	383.15	K	NCMS SOLV-DB
ΔfG°	-487.05	kJ/mol	Joback Calculated Property
ΔfH°gas	-820.00	kJ/mol	Relay (1.0) Calculated Property
ΔfH°solid	-901.20	kJ/mol	NIST
ΔfusH°	28.40	kJ/mol	Joback Calculated Property
ΔvapH°	72.14	kJ/mol	Relay (1.0) Calculated Property
IE	9.55	eV	Relay (1.0) Calculated Property
log10WS	-1.06		Relay (1.0) Calculated Property
logPoct/wat	1.772		NCMS SOLV-DB
McVol	170.940	ml/mol	McGowan Calculated Property
NFPA Fire	1		NCMS SOLV-DB
NFPA Health	1		NCMS SOLV-DB
NFPA Safety	0		NCMS SOLV-DB
Pc	[2150.00; 3150.00]	kPa
Pc	3150.00	kPa	IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 7 Compiled value
Pc	2150.00	kPa	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Pc	3150.00 ± 200.00	kPa	NIST
Inp	[1350.00; 1408.20]
Inp	1408.20		NIST
Inp	1408.20		NIST
Inp	1366.00		NIST
Inp	1361.60		NIST
Inp	1350.00		NIST
Inp	1365.90		NIST
Inp	1365.90		NIST
Ip	[1838.00; 1838.00]
Ip	1838.00		NIST
Ip	1838.00		NIST
Tboil	[518.15; 518.20]	K
Tboil	518.15	K	NCMS SOLV-DB
Tboil	518.20	K	NIST
Tc	[681.00; 693.90]	K
Tc	681.00	K	IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 7 Compiled value
Tc	693.90	K	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Tc	681.00 ± 3.00	K	NIST
Tfus	[241.15; 241.15]	K
Tfus	241.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	241.15	K	NCMS SOLV-DB
Vc	0.656	m3/kmol	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[264.77; 580.35]	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			7.02070e+01
Coefficient B			7.72640e-01
Coefficient C			-2.03600e-04
Coefficient D			-5.89000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	264.77	J/mol×K	273.00	Calculated Property
Cp,gas	315.46	J/mol×K	353.78	Calculated Property
Cp,gas	362.68	J/mol×K	434.56	Calculated Property
Cp,gas	406.24	J/mol×K	515.33	Calculated Property
Cp,gas	445.96	J/mol×K	596.11	Calculated Property
Cp,gas	481.65	J/mol×K	676.89	Calculated Property
Cp,gas	513.11	J/mol×K	757.67	Calculated Property
Cp,gas	540.18	J/mol×K	838.44	Calculated Property
Cp,gas	562.65	J/mol×K	919.22	Calculated Property
Cp,gas	580.35	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[389.61; 548.01]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.69058e+01
Coefficient B			-6.07502e+03
Coefficient C			-2.40440e+01
Temperature range, min.			389.61
Temperature range, max.			548.01
Pvap	1.33	kPa	389.61	Calculated Property
Pvap	2.86	kPa	407.21	Calculated Property
Pvap	5.74	kPa	424.81	Calculated Property
Pvap	10.86	kPa	442.41	Calculated Property
Pvap	19.52	kPa	460.01	Calculated Property
Pvap	33.51	kPa	477.61	Calculated Property
Pvap	55.27	kPa	495.21	Calculated Property
Pvap	87.93	kPa	512.81	Calculated Property
Pvap	135.44	kPa	530.41	Calculated Property
Pvap	202.66	kPa	548.01	Calculated Property

Similar Compounds

Find more compounds similar to Ethanol, 2-(2-butoxyethoxy)-, acetate.

Mixtures

• Ethanol, 2-(2-butoxyethoxy)-, acetate + Carbon dioxide

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).
• IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 7 ChEDL chemicals 1.5.2, from Kudchadker, A. P.; Ambrose, D.; Tsonopoulos, C. Vapor-Liquid Critical Properties of Elements and Compounds. 7. Oxygen Compounds Other Than Alkanols and Cycloalkanols. J. Chem. Eng. Data 2001, 46, 457-479.
• PSRK revision IV (2005), critical constants and acentric factors of 1000 components ChEDL chemicals 1.5.2, from Horstmann, S.; Jabłoniec, A.; Krafczyk, J.; Fischer, K.; Gmehling, J. PSRK Group Contribution Equation of State: Comprehensive Revision and Extension IV, Including Critical Constants and α-Function Parameters for 1000 Components. Fluid Phase Equilib. 2005, 227, 157-164.
• Cheméo Relay (1.0)
• Crippen Method
• Critical Assessment of CO2 Solubility in Volatile Solvents at 298.15 K
• Joback Method
• McGowan Method
• NIST Webbook
• NCMS SOLV-DB
• The Yaws Handbook of Vapor Pressure

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