Chemical Properties of Ethanol, 2-(2-ethoxyethoxy)-, acetate (CAS 112-15-2)

InChI

InChI=1S/C8H16O4/c1-3-10-4-5-11-6-7-12-8(2)9/h3-7H2,1-2H3

InChI Key

FPZWZCWUIYYYBU-UHFFFAOYSA-N

Formula

C8H16O4

SMILES

CCOCCOCCOC(C)=O

Molecular Weight¹

176.21

CAS

112-15-2

Other Names

• 2-(2-Ethoxyethoxy)ethanol acetate
• 2-(2-Ethoxyethoxy)ethylester kyseliny octove
• 2-(2-ethoxyethoxy)ethyl acetate
• 2-(2-ethoxyethoxy)ethyl ethanoate
• Acetic acid 2-(2-ethoxyethoxy)ethyl ester
• Carbitol acetate
• Diethylene glycol ethyl ether acetate
• Diethylene glycol monoethyl ether acetate
• Diethyleneglycol acetate monoethylether
• Diglycol monoethyl ether acetate
• Ektasolve de acetate
• Ethanol, 2-(2-ethoxyethoxy)-, 1-acetate
• Ethyldiglycol acetate
• Glycol ether de acetate
• Karbitolacetat
• NSC 8702
• diethylene glycol monoethyl ether ethanoate

• 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_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.
• 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	0.7404		PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Tig	633.15	K	NCMS SOLV-DB
Tflash,cc	380.15	K	NCMS SOLV-DB
ΔfG°	-503.89	kJ/mol	Joback Calculated Property
ΔfH°gas	-781.13	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	23.22	kJ/mol	Joback Calculated Property
ΔvapH°	91.21	kJ/mol	NCMS SOLV-DB
IE	9.54	eV	Relay (1.0) Calculated Property
log10WS	-0.21		Relay (1.0) Calculated Property
logPoct/wat	0.714		NCMS SOLV-DB
McVol	142.760	ml/mol	McGowan Calculated Property
NFPA Fire	1		NCMS SOLV-DB
NFPA Health	1		NCMS SOLV-DB
NFPA Safety	0		NCMS SOLV-DB
Pc	[2730.00; 2730.00]	kPa
Pc	2730.00	kPa	IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 7 Compiled value
Pc	2730.00	kPa	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Pc	2730.00 ± 200.00	kPa	NIST
Inp	[1147.00; 1184.00]
Inp	1184.00		NIST
Inp	1147.00		NIST
Inp	1183.80		NIST
Inp	1183.80		NIST
Tboil	[490.55; 491.70]	K
Tboil	490.55	K	NCMS SOLV-DB
Tboil	491.70	K	NIST
Tc	[663.00; 663.00]	K
Tc	663.00	K	IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 7 Compiled value
Tc	663.00	K	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Tc	663.00 ± 3.00	K	NIST
Tfus	[248.15; 248.15]	K
Tfus	248.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	248.15	K	NCMS SOLV-DB
Vc	0.546	m3/kmol	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
η	0.0028000	Pa×s	298.15	NCMS SOLV-DB
ΔvapH	51.70	kJ/mol	392.00	NIST
Pvap	[0.01; 64.24]	kPa	[293.15; 473.15]
Pvap	0.01	kPa	293.15	NCMS SOLV-DB
Pvap	2.02	kPa	363.15	Vapor Pressures of Morpholine, Diethyl Methylmalonate, and Five Glycol Ethers at Temperatures up to 473.15 K
Pvap	2.95	kPa	373.15	Vapor Pressures of Morpholine, Diethyl Methylmalonate, and Five Glycol Ethers at Temperatures up to 473.15 K
Pvap	4.29	kPa	383.15	Vapor Pressures of Morpholine, Diethyl Methylmalonate, and Five Glycol Ethers at Temperatures up to 473.15 K
Pvap	6.04	kPa	393.15	Vapor Pressures of Morpholine, Diethyl Methylmalonate, and Five Glycol Ethers at Temperatures up to 473.15 K
Pvap	8.53	kPa	403.15	Vapor Pressures of Morpholine, Diethyl Methylmalonate, and Five Glycol Ethers at Temperatures up to 473.15 K
Pvap	11.91	kPa	413.15	Vapor Pressures of Morpholine, Diethyl Methylmalonate, and Five Glycol Ethers at Temperatures up to 473.15 K
Pvap	16.24	kPa	423.15	Vapor Pressures of Morpholine, Diethyl Methylmalonate, and Five Glycol Ethers at Temperatures up to 473.15 K
Pvap	21.85	kPa	433.15	Vapor Pressures of Morpholine, Diethyl Methylmalonate, and Five Glycol Ethers at Temperatures up to 473.15 K
Pvap	29.01	kPa	443.15	Vapor Pressures of Morpholine, Diethyl Methylmalonate, and Five Glycol Ethers at Temperatures up to 473.15 K
Pvap	38.36	kPa	453.15	Vapor Pressures of Morpholine, Diethyl Methylmalonate, and Five Glycol Ethers at Temperatures up to 473.15 K
Pvap	49.87	kPa	463.15	Vapor Pressures of Morpholine, Diethyl Methylmalonate, and Five Glycol Ethers at Temperatures up to 473.15 K
Pvap	56.75	kPa	468.15	Vapor Pressures of Morpholine, Diethyl Methylmalonate, and Five Glycol Ethers at Temperatures up to 473.15 K
Pvap	64.24	kPa	473.15	Vapor Pressures of Morpholine, Diethyl Methylmalonate, and Five Glycol Ethers at Temperatures up to 473.15 K
n0	1.42100		298.15	NCMS SOLV-DB
ρl	[968.38; 1030.00]	kg/m3	[273.15; 333.15]
ρl	1030.00	kg/m3	273.15	Below the room temperature measurements of CO2 solubilities in six physical absorbents
ρl	1020.00	kg/m3	283.15	Below the room temperature measurements of CO2 solubilities in six physical absorbents
ρl	1009.46	kg/m3	293.15	Solubilities of CO2 capture absorbents 2-ethoxyethyl ether, 2-butoxyethyl acetate and 2-(2-ethoxyethoxy)ethyl acetate
ρl	999.19	kg/m3	303.15	Solubilities of CO2 capture absorbents 2-ethoxyethyl ether, 2-butoxyethyl acetate and 2-(2-ethoxyethoxy)ethyl acetate
ρl	988.92	kg/m3	313.15	Solubilities of CO2 capture absorbents 2-ethoxyethyl ether, 2-butoxyethyl acetate and 2-(2-ethoxyethoxy)ethyl acetate
ρl	978.66	kg/m3	323.15	Solubilities of CO2 capture absorbents 2-ethoxyethyl ether, 2-butoxyethyl acetate and 2-(2-ethoxyethoxy)ethyl acetate
ρl	968.38	kg/m3	333.15	Solubilities of CO2 capture absorbents 2-ethoxyethyl ether, 2-butoxyethyl acetate and 2-(2-ethoxyethoxy)ethyl acetate
γ	0.03	N/m	298.15	NCMS SOLV-DB

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[222.34; 477.17]	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			7.20250e+01
Coefficient B			5.82640e-01
Coefficient C			-9.48000e-05
Coefficient D			-8.27000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	222.34	J/mol×K	273.00	Calculated Property
Cp,gas	262.62	J/mol×K	353.78	Calculated Property
Cp,gas	300.53	J/mol×K	434.56	Calculated Property
Cp,gas	335.78	J/mol×K	515.33	Calculated Property
Cp,gas	368.14	J/mol×K	596.11	Calculated Property
Cp,gas	397.32	J/mol×K	676.89	Calculated Property
Cp,gas	423.08	J/mol×K	757.67	Calculated Property
Cp,gas	445.15	J/mol×K	838.44	Calculated Property
Cp,gas	463.26	J/mol×K	919.22	Calculated Property
Cp,gas	477.17	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[364.57; 519.55]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.67698e+01
Coefficient B			-5.82618e+03
Coefficient C			-1.10880e+01
Temperature range, min.			364.57
Temperature range, max.			519.55
Pvap	1.33	kPa	364.57	Calculated Property
Pvap	2.87	kPa	381.79	Calculated Property
Pvap	5.76	kPa	399.01	Calculated Property
Pvap	10.91	kPa	416.23	Calculated Property
Pvap	19.60	kPa	433.45	Calculated Property
Pvap	33.65	kPa	450.67	Calculated Property
Pvap	55.45	kPa	467.89	Calculated Property
Pvap	88.13	kPa	485.11	Calculated Property
Pvap	135.60	kPa	502.33	Calculated Property
Pvap	202.63	kPa	519.55	Calculated Property

Similar Compounds

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

Mixtures

• Ethanol, 2-(2-ethoxyethoxy)-, acetate + Carbon dioxide
• Ethanol, 2-(2-ethoxyethoxy)-, acetate + Sulfuryl fluoride

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
• Solubilities of CO2 capture absorbents 2-ethoxyethyl ether, 2-butoxyethyl acetate and 2-(2-ethoxyethoxy)ethyl acetate
• Below the room temperature measurements of CO2 solubilities in six physical absorbents
• Solubilities of Sulfuryl Fluoride in 2-Butoxyethyl Acetate, 3-Methoxybutyl Acetate, 2-Methoxyethyl Acetate, 1-Methoxy-2-propyl Acetate, and 2-(2-Ethoxyethoxy)ethyl Acetate
• 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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