Chemical Properties of 1-Propen-2-ol, acetate (CAS 108-22-5)

InChI

InChI=1S/C5H8O2/c1-4(2)7-5(3)6/h1H2,2-3H3

InChI Key

HETCEOQFVDFGSY-UHFFFAOYSA-N

Formula

C5H8O2

SMILES

C=C(C)OC(C)=O

Molecular Weight¹

100.12

CAS

108-22-5

Other Names

• 1-Acetoxy-1-methylethylene
• 1-Methylvinyl acetate
• 1-Propen-2-ol, 2-acetate
• 1-Propen-2-yl acetate
• 1-methylvinyl ethanoate
• 2-ACETOXYPROPENE
• 2-Acetoxypropylene
• Acetic acid 1-methylethenyl ester
• Acetic acid isopropenyl ester
• ISOPROPENYL ACETATE
• METHYLVINYL ACETATE
• NSC 2197
• PROPEN-2-YL ACETATE
• UN 2403
• acetic acid, isopropenyl ester
• ethanoic acid, isopropenyl ester
• isopropenyl ethanoate

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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_vapH° : Enthalpy of vaporization at standard conditions (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).
• P_c : Critical Pressure (kPa).
• P_vap : Vapor pressure (kPa).
• n₀ : Refractive Index.
• I_np : Non-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	0.4103		Relay (1.0) Calculated Property
ΔfG°	-163.41	kJ/mol	Joback Calculated Property
ΔfH°gas	-387.71	kJ/mol	Relay (1.0) Calculated Property
ΔfH°liquid	-386.20 ± 0.96	kJ/mol	NIST
ΔfusH°	8.90	kJ/mol	Joback Calculated Property
ΔvapH°	37.69	kJ/mol	Relay (1.0) Calculated Property
IE	8.96	eV	Relay (1.0) Calculated Property
log10WS	-0.51		Relay (1.0) Calculated Property
logPoct/wat	1.083		Crippen Calculated Property
McVol	84.450	ml/mol	McGowan Calculated Property
Pc	3881.95	kPa	Joback Calculated Property
Inp	[608.00; 673.00]
Inp	608.00		NIST
Inp	609.00		NIST
Inp	641.00		NIST
Inp	644.00		NIST
Inp	673.00		NIST
Tboil	[367.20; 370.85]	K
Tboil	367.20	K	NIST
Tboil	370.00	K	NIST
Tboil	370.85	K	NIST
Tboil	370.00 ± 2.00	K	NIST
Tc	550.94	K	Relay (1.0) Calculated Property
Tfus	180.25	K	NIST
Vc	0.318	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[149.36; 192.58]	J/mol×K	[386.65; 572.77]
Cp,gas	149.36	J/mol×K	386.65	Joback Calculated Property
Cp,gas	157.23	J/mol×K	417.67	Joback Calculated Property
Cp,gas	164.83	J/mol×K	448.69	Joback Calculated Property
Cp,gas	172.17	J/mol×K	479.71	Joback Calculated Property
Cp,gas	179.24	J/mol×K	510.73	Joback Calculated Property
Cp,gas	186.04	J/mol×K	541.75	Joback Calculated Property
Cp,gas	192.58	J/mol×K	572.77	Joback Calculated Property
n0	[1.40290; 1.40330]		[293.15; 298.15]
n0	1.40330		293.15	Isobaric Vapor-Liquid Equilibria for the Binary Systems of Acetic Acid + Isopropenyl Acetate, Acetic Acid + Acetylacetone, and Water + Acetylacetone
n0	1.40290		298.15	Isobaric Vapor Liquid Equilibria for Binary Systems of Acetone + Isopropenyl Acetate, 2-Butanone + Isopropenyl Acetate, and Isopropenyl Acetate + Acetylacetone at 101.3 kPa

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[274.42; 389.37]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.54161e+01
Coefficient B			-3.49774e+03
Coefficient C			-4.32180e+01
Temperature range, min.			274.42
Temperature range, max.			389.37
Pvap	1.33	kPa	274.42	Calculated Property
Pvap	2.94	kPa	287.19	Calculated Property
Pvap	6.01	kPa	299.96	Calculated Property
Pvap	11.45	kPa	312.74	Calculated Property
Pvap	20.61	kPa	325.51	Calculated Property
Pvap	35.23	kPa	338.28	Calculated Property
Pvap	57.61	kPa	351.05	Calculated Property
Pvap	90.59	kPa	363.83	Calculated Property
Pvap	137.60	kPa	376.60	Calculated Property
Pvap	202.64	kPa	389.37	Calculated Property
Pvap	[26.66; 101.32]	kPa	[332.15; 370.15]	KDB Vapor Pressure Data
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			1.62473e+01
Coefficient B			-4.31771e+03
Coefficient C			6.24722e-03
Coefficient D			-8.51795e-09
Temperature range, min.			332.15
Temperature range, max.			370.15
Pvap	26.66	kPa	332.15	Calculated Property
Pvap	31.39	kPa	336.37	Calculated Property
Pvap	36.81	kPa	340.59	Calculated Property
Pvap	42.99	kPa	344.82	Calculated Property
Pvap	50.03	kPa	349.04	Calculated Property
Pvap	58.00	kPa	353.26	Calculated Property
Pvap	67.01	kPa	357.48	Calculated Property
Pvap	77.16	kPa	361.71	Calculated Property
Pvap	88.56	kPa	365.93	Calculated Property
Pvap	101.32	kPa	370.15	Calculated Property

Similar Compounds

Find more compounds similar to 1-Propen-2-ol, acetate.

Mixtures

• 1-Propen-2-ol, acetate + Acetone
• 2-Butanone + 1-Propen-2-ol, acetate
• 1-Propen-2-ol, acetate + Acetylacetone
• 1-Propen-2-ol, acetate + Acetic acid
• 1-Propen-2-ol, acetate + Acetic acid + Water

Sources

• KDB Vapor Pressure Data
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Liquid-liquid equilibrium for the ternary system isopropenyl acetate + water + acetic acid at 298.2 K, 313.2 K, 323.2 K and 333.2 K
• Isobaric vapor-liquid liquid equilibrium for isopropenyl acetate + water + acetic acid at 101 kPa
• Isobaric Vapor Liquid Equilibria for Binary Systems of Acetone + Isopropenyl Acetate, 2-Butanone + Isopropenyl Acetate, and Isopropenyl Acetate + Acetylacetone at 101.3 kPa
• Isobaric Vapor-Liquid Equilibria for the Binary Systems of Acetic Acid + Isopropenyl Acetate, Acetic Acid + Acetylacetone, and Water + Acetylacetone
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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