Chemical Properties of Acetic acid ethenyl ester (CAS 108-05-4)

InChI

InChI=1S/C4H6O2/c1-3-6-4(2)5/h3H,1H2,2H3

InChI Key

XTXRWKRVRITETP-UHFFFAOYSA-N

Formula

C4H6O2

SMILES

C=COC(C)=O

Molecular Weight¹

86.09

CAS

108-05-4

Other Names

• 1-Acetoxyethylene
• Acetate de vinyle
• Acetic acid vinyl ester
• Acetic acid, ethylene ether
• Acetoxyethene
• CH3CO2CH=CH2
• Ethenyl acetate
• Everflex 81L
• NSC 8404
• Octan winylu
• Plyamul 40305-00
• Unocal 76 Res 6206
• Unocal 76 Res S-55
• VAC
• Vinile (acetato di)
• Vinnapas A 50
• Vinyl A monomer
• Vinyl acetate h.q.
• Vinyl acetate monomer
• Vinyl ester of acetic acid
• Vinylacetaat
• Vinylacetat
• Vinyle (acetate de)
• Vinylester kyseliny octove
• VyAc
• Zeset T
• acetic acid, vinyl ester
• ethanoic acid, ethenyl ester
• ethenyl ethanoate
• vinyl acetate
• vinyl ethanoate

• ω : Acentric Factor.
• PAff : Proton affinity (kJ/mol).
• T_ig : Autoignition Temperature (K).
• 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).
• LFL : Lower Flammability Limit (% in Air).
• UFL : Upper Flammability Limit (% in Air).
• T_flash,cc : Flash Point (Closed Cup Method) (K).
• T_flash,oc : Flash Point (Open Cup Method) (K).
• R_g : Radius of Gyration.
• 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_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).
• 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 : 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).
• Z_c : Critical Compressibility.
• Z_ra : Rackett Parameter.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.3400		KDB
PAff	813.90	kJ/mol	NIST
Tig	699.82	K	KDB
BasG	782.90	kJ/mol	NIST
ΔcH°liquid	-2086.00 ± 10.00	kJ/mol	NIST
μ	1.70	debye	KDB
LFL	2.60	% in Air	KDB
UFL	13.40	% in Air	KDB
Tflash,cc	268.15	K	KDB
Tflash,oc	265.37	K	KDB
Rg	3.0890		KDB
ΔfH°gas	[-316.00; -309.00]	kJ/mol
ΔfH°gas	-316.00	kJ/mol	KDB
ΔfH°gas	-313.60	kJ/mol	NIST
ΔfH°gas	-309.00 ± 10.00	kJ/mol	NIST
ΔfH°liquid	[-350.80; -346.00]	kJ/mol
ΔfH°liquid	-350.80	kJ/mol	NIST
ΔfH°liquid	-346.00 ± 10.00	kJ/mol	NIST
ΔfusH°	9.21	kJ/mol	Joback Calculated Property
ΔvapH°	37.20 ± 0.84	kJ/mol	NIST
IE	[9.19; 9.85]	eV
IE	9.20	eV	NIST
IE	9.20	eV	NIST
IE	9.19 ± 0.05	eV	NIST
IE	9.85	eV	NIST
IE	9.85 ± 0.05	eV	NIST
logPoct/wat	0.693		Crippen Calculated Property
McVol	70.360	ml/mol	McGowan Calculated Property
NFPA Fire	3		KDB
NFPA Health	2		KDB
NFPA Safety	2		KDB
Pc	[4185.00; 4350.00]	kPa
Pc	4350.00	kPa	KDB
Pc	4185.00 ± 9.00	kPa	NIST
Inp	[524.00; 570.00]
Inp	564.00		NIST
Inp	527.00		NIST
Inp	529.00		NIST
Inp	545.00		NIST
Inp	548.00		NIST
Inp	524.00		NIST
Inp	546.00		NIST
Inp	551.00		NIST
Inp	570.00		NIST
Inp	570.00		NIST
Inp	560.00		NIST
Inp	562.00		NIST
Inp	562.00		NIST
Inp	562.00		NIST
Inp	548.00		NIST
Inp	564.00		NIST
I	[878.00; 878.00]
I	878.00		NIST
I	878.00		NIST
Tboil	[345.00; 346.15]	K
Tboil	346.10	K	Vapor-Liquid Equilibrium and Mixing Properties of Methanol + Diethyl Carbonate and Vinyl Acetate + Diethyl Carbonate Systems
Tboil	345.75	K	Vapor Liquid Equilibrium at p/kPa = 101.3 of the Binary Mixtures of Ethenyl Acetate with Methanol and Butan-1-ol
Tboil	345.95	K	Isobaric Vapor Liquid Equilibrium of Binary Mixtures of Vinyl Acetate and Ethyl Formate with Cumene at 97.3 kPa
Tboil	346.00	K	KDB
Tboil	345.71 ± 0.30	K	NIST
Tboil	345.71 ± 0.30	K	NIST
Tboil	345.50	K	NIST
Tboil	345.71 ± 0.30	K	NIST
Tboil	345.71 ± 0.30	K	NIST
Tboil	Outlier 345.00	K	NIST
Tboil	346.01 ± 0.40	K	NIST
Tboil	346.05	K	NIST
Tboil	345.65 ± 0.30	K	NIST
Tboil	346.15 ± 1.50	K	NIST
Tc	[519.13; 525.00]	K
Tc	525.00	K	KDB
Tc	519.13 ± 0.40	K	NIST
Tfus	[172.95; 180.35]	K
Tfus	173.00	K	KDB
Tfus	180.35	K	NIST
Tfus	172.95 ± 0.30	K	NIST
Vc	0.265	m3/kmol	KDB
Zc	0.2640820		KDB
Zra	0.26		KDB

Cheméo can also estimate Standard Gibbs free energy of formation, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[113.84; 149.66]	J/mol×K	[346.02; 524.34]
Cp,gas	113.84	J/mol×K	346.02	Joback Calculated Property
Cp,gas	120.37	J/mol×K	375.74	Joback Calculated Property
Cp,gas	126.67	J/mol×K	405.46	Joback Calculated Property
Cp,gas	132.75	J/mol×K	435.18	Joback Calculated Property
Cp,gas	138.61	J/mol×K	464.90	Joback Calculated Property
Cp,gas	144.25	J/mol×K	494.62	Joback Calculated Property
Cp,gas	149.66	J/mol×K	524.34	Joback Calculated Property
Cp,liquid	169.50	J/mol×K	298.00	NIST
η	[0.0002513; 0.0043165]	Pa×s	[175.41; 346.02]
η	0.0043165	Pa×s	175.41	Joback Calculated Property
η	0.0019308	Pa×s	203.84	Joback Calculated Property
η	0.0010517	Pa×s	232.28	Joback Calculated Property
η	0.0006540	Pa×s	260.71	Joback Calculated Property
η	0.0004466	Pa×s	289.15	Joback Calculated Property
η	0.0003265	Pa×s	317.58	Joback Calculated Property
η	0.0002513	Pa×s	346.02	Joback Calculated Property
ΔfusH	[8.46; 8.46]	kJ/mol	[180.60; 180.60]
ΔfusH	8.46	kJ/mol	180.60	NIST
ΔfusH	8.46	kJ/mol	180.60	NIST
ΔvapH	[31.40; 34.40]	kJ/mol	[320.00; 347.50]
ΔvapH	34.40	kJ/mol	320.00	NIST
ΔvapH	31.40	kJ/mol	347.50	NIST
Pvap	[97.30; 101.30]	kPa	[344.68; 346.10]
Pvap	97.30	kPa	344.68	Vapor-Liquid Equilibria and Excess Properties of the Binary System Vinyl Acetate + p-Xylene
Pvap	101.30	kPa	345.75	Vapor Liquid Equilibrium at p/kPa = 101.3 of the Binary Mixtures of Ethenyl Acetate with Methanol and Butan-1-ol
Pvap	101.30	kPa	346.10	Vapor-Liquid Equilibrium and Mixing Properties of Methanol + Diethyl Carbonate and Vinyl Acetate + Diethyl Carbonate Systems
n0	[1.39253; 1.39260]		[293.15; 298.15]
n0	1.39260		293.15	Measurement and Modeling of Liquid Liquid Equilibrium for the Systems Vinyl Acetate + Acetic Acid/Ethanol + Water at 298.15 and 308.15 K
n0	1.39253		298.15	Density, Refractive Index, Speed of Sound, and Vapor-Liquid Equilibria for Binary Mixtures of Methanol + Vinyl Propionate and Vinyl Acetate + Vinyl Propionate. Vapor Pressures of Vinyl Propionate
ρl	[906.12; 932.00]	kg/m3	[293.00; 313.15]
ρl	932.00	kg/m3	293.00	KDB
ρl	931.95	kg/m3	293.15	Density, excess volume, and excess coefficient of thermal expansion of the binary systems of dimethyl carbonate with butyl methacrylate, allyl methacrylate, styrene, and vinyl acetate at T = (293.15, 303.15, and 313.15) K
ρl	925.77	kg/m3	298.15	Densities and derived thermodynamic properties of the binary systems of 1,1-dimethylethyl methyl ether with allyl methacrylate, butyl methacrylate, methacrylic acid, and vinyl acetate at T = (298.15 and 308.15) K
ρl	925.77	kg/m3	298.15	Densities, isobaric thermal compressibilities and derived thermodynamic properties of the binary systems of cyclohexane with allyl methacrylate, butyl methacrylate, methacrylic acid, and vinyl acetate at t = (298.15 and 308.15)K
ρl	919.09	kg/m3	303.15	Density, excess volume, and excess coefficient of thermal expansion of the binary systems of dimethyl carbonate with butyl methacrylate, allyl methacrylate, styrene, and vinyl acetate at T = (293.15, 303.15, and 313.15) K
ρl	919.40	kg/m3	303.15	Density, viscosity, and speed of sound of binary liquid mixtures of vinyl acetate with butyl vinyl ether, diisopropyl ether, anisole and dibutyl ether
ρl	913.13	kg/m3	308.15	Densities and derived thermodynamic properties of the binary systems of 1,1-dimethylethyl methyl ether with allyl methacrylate, butyl methacrylate, methacrylic acid, and vinyl acetate at T = (298.15 and 308.15) K
ρl	913.50	kg/m3	308.15	Density, viscosity, and speed of sound of binary liquid mixtures of vinyl acetate with butyl vinyl ether, diisopropyl ether, anisole and dibutyl ether
ρl	913.13	kg/m3	308.15	Densities, isobaric thermal compressibilities and derived thermodynamic properties of the binary systems of cyclohexane with allyl methacrylate, butyl methacrylate, methacrylic acid, and vinyl acetate at t = (298.15 and 308.15)K
ρl	906.12	kg/m3	313.15	Density, excess volume, and excess coefficient of thermal expansion of the binary systems of dimethyl carbonate with butyl methacrylate, allyl methacrylate, styrene, and vinyl acetate at T = (293.15, 303.15, and 313.15) K
ρl	907.30	kg/m3	313.15	Density, viscosity, and speed of sound of binary liquid mixtures of vinyl acetate with butyl vinyl ether, diisopropyl ether, anisole and dibutyl ether

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 3968.13]	kPa	[253.08; 519.13]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.48909e+01
Coefficient B			-3.20824e+03
Coefficient C			-3.33880e+01
Temperature range, min.			253.08
Temperature range, max.			519.13
Pvap	1.33	kPa	253.08	Calculated Property
Pvap	7.53	kPa	282.64	Calculated Property
Pvap	29.49	kPa	312.20	Calculated Property
Pvap	88.87	kPa	341.76	Calculated Property
Pvap	220.80	kPa	371.32	Calculated Property
Pvap	473.86	kPa	400.89	Calculated Property
Pvap	907.65	kPa	430.45	Calculated Property
Pvap	1588.80	kPa	460.01	Calculated Property
Pvap	2586.47	kPa	489.57	Calculated Property
Pvap	3968.13	kPa	519.13	Calculated Property
Pvap	[9.50e-04; 4192.26]	kPa	[180.35; 524.00]	KDB Vapor Pressure Data
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			4.86249e+01
Coefficient B			-5.47773e+03
Coefficient C			-4.86787e+00
Coefficient D			2.36709e-06
Temperature range, min.			180.35
Temperature range, max.			524.00
Pvap	9.50e-04	kPa	180.35	Calculated Property
Pvap	0.08	kPa	218.53	Calculated Property
Pvap	1.55	kPa	256.72	Calculated Property
Pvap	13.12	kPa	294.90	Calculated Property
Pvap	64.55	kPa	333.08	Calculated Property
Pvap	220.12	kPa	371.27	Calculated Property
Pvap	580.62	kPa	409.45	Calculated Property
Pvap	1272.48	kPa	447.63	Calculated Property
Pvap	2431.86	kPa	485.82	Calculated Property
Pvap	4192.26	kPa	524.00	Calculated Property

Similar Compounds

Find more compounds similar to Acetic acid ethenyl ester.

Mixtures

• Acetic acid ethenyl ester + Propane, 2-methoxy-2-methyl-
• Acetic acid ethenyl ester + Water
• Benzyl alcohol + Acetic acid ethenyl ester
• 2-Propanol, 1,3-dichloro- + Acetic acid ethenyl ester
• Acetic acid ethenyl ester + Cyclohexane
• Carbonic acid, dimethyl ester + Acetic acid ethenyl ester
• Acetic acid ethenyl ester + Butane, 1-(ethenyloxy)-
• Diisopropyl ether + Acetic acid ethenyl ester
• Acetic acid ethenyl ester + Anisole
• Acetic acid ethenyl ester + n-Butyl ether
• Benzenemethanol, «alpha»-methyl- + Carbon dioxide + Acetic acid ethenyl ester
• Acetic acid ethenyl ester + Acetic acid + Water
• Ethanol + Acetic acid ethenyl ester + Water
• Benzene, (1-methylethyl)- + Acetic acid ethenyl ester
• Acetic acid ethenyl ester + Propanoic acid, ethenyl ester
• Diethyl carbonate + Acetic acid ethenyl ester
• p-Xylene + Acetic acid ethenyl ester
• Acetonitrile + Acetic acid ethenyl ester + QUERCERTIN
• Acetic acid ethenyl ester + Methyl Alcohol
• Acetic acid ethenyl ester + 1-Butanol

Find more mixtures with Acetic acid ethenyl ester.

Sources

• KDB Vapor Pressure Data
• Crippen Method
• Crippen Method
• Phase equilibria of the ternary system vinyl acetate/(R,S)-1-phenylethanol/carbon dioxide at high pressure conditions
• Activity coefficients and partial molar excess enthalpies at infinite dilution for four esters in water
• Separation of binary mixtures based on limiting activity coefficients data using specific ammonium-based ionic liquid and modelling of thermodynamic functions
• New ionic liquid [P4,4,4,4][NTf2] in bio-butanol extraction on investigation of limiting activity coefficients
• Ammonium ionic liquids in extraction of bio-butan-1-ol from water phase using activity coefficients at infinite dilution
• Densities and derived thermodynamic properties of the binary systems of 1,1-dimethylethyl methyl ether with allyl methacrylate, butyl methacrylate, methacrylic acid, and vinyl acetate at T = (298.15 and 308.15) K
• Density, excess volume, and excess coefficient of thermal expansion of the binary systems of dimethyl carbonate with butyl methacrylate, allyl methacrylate, styrene, and vinyl acetate at T = (293.15, 303.15, and 313.15) K
• Activity coefficients at infinite dilution and physicochemical properties for organic solutes and water in the ionic liquid 1-(2-hydroxyethyl)- 3-methylimidazolium trifluorotris(perfluoroethyl)phosphate
• Thermodynamics and activity coefficients at infinite dilution for organic solutes, water and diols in the ionic liquid choline bis(trifluoromethylsulfonyl)imide
• Activity coefficients at infinite dilution and physicochemical properties for organic solutes and water in the ionic liquid 4-(3-hydroxypropyl)-4-methylmorpholinium bis(trifluoromethylsulfonyl)-amide
• Activity coefficients at infinite dilution, physicochemical and thermodynamic properties for organic solutes and water in the ionic liquid ethyl-dimethyl-(2-methoxyethyl)ammonium trifluorotris-(perfluoroethyl)phosphate
• Separation of binary mixtures hexane/hex-1-ene, cyclohexane/cyclohexene and ethylbenzene/styrene based on gamma infinity data measurements
• Thermodynamic study of molecular interaction-selectivity in separation processes based on limiting activity coefficients
• The use of ionic liquids for separation of binary hydrocarbons mixtures based on gamma infinity data measurements
• Density, viscosity, and speed of sound of binary liquid mixtures of vinyl acetate with butyl vinyl ether, diisopropyl ether, anisole and dibutyl ether
• Densities, isobaric thermal compressibilities and derived thermodynamic properties of the binary systems of cyclohexane with allyl methacrylate, butyl methacrylate, methacrylic acid, and vinyl acetate at t = (298.15 and 308.15)K
• The study of excess molar volumes and related properties for binary mixtures containing benzyl alcohol and 1,3-dichloro-2-propanol with vinyl acetate, ethyl acetate and t-butyl acetate at T = 293.15 to 313.15 K and P = 0.087 MPa
• Measurement and Modeling of Liquid Liquid Equilibrium for the Systems Vinyl Acetate + Acetic Acid/Ethanol + Water at 298.15 and 308.15 K
• Bubble-Point Measurement for CO2 + Vinyl Acetate and CO2 + Vinyl Acrylate Systems at High Pressures.
• Vapor-Liquid Equilibrium and Mixing Properties of Methanol + Diethyl Carbonate and Vinyl Acetate + Diethyl Carbonate Systems
• Density, Refractive Index, Speed of Sound, and Vapor-Liquid Equilibria for Binary Mixtures of Methanol + Vinyl Propionate and Vinyl Acetate + Vinyl Propionate. Vapor Pressures of Vinyl Propionate
• Vapor-Liquid Equilibria and Excess Properties of the Binary System Vinyl Acetate + p-Xylene
• Vapor Liquid Equilibrium at p/kPa = 101.3 of the Binary Mixtures of Ethenyl Acetate with Methanol and Butan-1-ol
• Solubility of Flavonoids in Organic Solvents
• Isobaric Vapor Liquid Equilibrium of Binary Mixtures of Vinyl Acetate and Ethyl Formate with Cumene at 97.3 kPa
• Determination of Temperature-Dependent Henry s Law Constant of Four Oxygenated Solutes in Water Using Headspace Solid-Phase Microextraction Technique
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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