Chemical Properties of Allyl alcohol (CAS 107-18-6)

InChI

InChI=1S/C3H6O/c1-2-3-4/h2,4H,1,3H2

InChI Key

XXROGKLTLUQVRX-UHFFFAOYSA-N

Formula

C3H6O

SMILES

C=CCO

Molecular Weight¹

58.08

CAS

107-18-6

Other Names

• 1-Hydroxy-2-propene
• 1-Propenol-3
• 1-Propenol-3-ol
• 1-propen-3-ol
• 2-Propene-1-ol
• 2-Propenyl alcohol
• 2-propen-1-ol
• 2-propen-1-ol (allyl alcohol)
• 2-propenol
• 3-Hydroxy-1-propene
• 3-hydroxypropene
• AA
• Alcool allilco
• Alcool allylique
• Allilowy alkohol
• Allyl al
• Allylalkohol
• Allylic alcohol
• CH2=CHCH2OH
• NSC 6526
• PROPENYLALCOHOL
• Propen-1-ol-3
• Propenol-3
• Propenyl alcohol
• Rcra waste number P005
• Shell Unkrauttod A
• Shell unkrautted A
• UN 1098
• Vinylcarbinol
• Weed drench
• prop-2-en-1-ol

• ω : Acentric Factor.
• T_ig : Autoignition Temperature (K).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid phase heat capacity (J/mol×K).
• 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).
• 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 : 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).
• Z_c : Critical Compressibility.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.5540		KDB
Tig	715.93	K	KDB
LFL	2.50	% in Air	KDB
UFL	18.00	% in Air	KDB
Tflash,cc	305.37	K	KDB
Tflash,oc	295.37	K	KDB
ΔfG°	-71.30	kJ/mol	KDB
ΔfH°gas	[-132.10; -123.60]	kJ/mol
ΔfH°gas	-132.10	kJ/mol	KDB
ΔfH°gas	-123.60 ± 1.50	kJ/mol	NIST
ΔfusH°	6.33	kJ/mol	Joback Calculated Property
ΔvapH°	[44.80; 47.30]	kJ/mol
ΔvapH°	44.80	kJ/mol	NIST
ΔvapH°	46.10	kJ/mol	NIST
ΔvapH°	47.30	kJ/mol	NIST
ΔvapH°	47.00 ± 1.00	kJ/mol	NIST
IE	[9.63; 10.22]	eV
IE	9.67 ± 0.03	eV	NIST
IE	9.70	eV	NIST
IE	9.63	eV	NIST
IE	9.67 ± 0.05	eV	NIST
IE	10.22	eV	NIST
log10WS	0.73		Relay (1.0) Calculated Property
logPoct/wat	0.165		Crippen Calculated Property
McVol	54.700	ml/mol	McGowan Calculated Property
NFPA Fire	3		KDB
NFPA Health	3		KDB
NFPA Safety	1		KDB
Pc	[5310.00; 5640.00]	kPa
Pc	5640.00	kPa	Critical Point and Vapor Pressure Measurements for Seven Compounds by a Low Residence Time Flow Method
Pc	5310.00	kPa	KDB
Inp	[498.00; 576.00]
Inp	576.00		NIST
Inp	558.00		NIST
Inp	546.00		NIST
Inp	576.00		NIST
Inp	558.00		NIST
Inp	546.00		NIST
Inp	539.00		NIST
Inp	512.00		NIST
Inp	526.00		NIST
Inp	549.00		NIST
Inp	532.00		NIST
Inp	546.00		NIST
Inp	Outlier 498.00		NIST
Inp	Outlier 501.00		NIST
Inp	519.00		NIST
Inp	550.00		NIST
Inp	543.00		NIST
Inp	545.00		NIST
Inp	540.00		NIST
Inp	556.00		NIST
Inp	537.00		NIST
Inp	555.00		NIST
Inp	555.00		NIST
Inp	555.00		NIST
Inp	540.00		NIST
Inp	534.00		NIST
Inp	555.00		NIST
Inp	546.00		NIST
Inp	Outlier 498.00		NIST
I	[1097.00; 1167.00]
I	1130.00		NIST
I	Outlier 1167.00		NIST
I	1128.00		NIST
I	1130.00		NIST
I	Outlier 1167.00		NIST
I	1128.00		NIST
I	1145.00		NIST
I	1098.00		NIST
I	1109.00		NIST
I	1136.00		NIST
I	1116.00		NIST
I	1116.00		NIST
I	1109.00		NIST
I	1109.00		NIST
I	1107.00		NIST
I	1125.00		NIST
I	1125.00		NIST
I	1125.00		NIST
I	1100.00		NIST
I	1097.00		NIST
I	1119.00		NIST
I	1124.00		NIST
I	1124.00		NIST
I	1104.00		NIST
I	1144.00		NIST
I	1111.00		NIST
I	1138.00		NIST
I	1108.00		NIST
I	1110.00		NIST
I	1122.00		NIST
I	1100.00		NIST
I	1138.00		NIST
Tboil	[369.60; 370.30]	K
Tboil	369.95	K	Separation of azeotrope (allyl alcohol + water): Isobaric vapour-liquid phase equilibrium measurements and extractive distillation
Tboil	369.75	K	Vapor-Liquid Equilibrium for Binary Systems of Allyl Alcohol + Water and Allyl Alcohol + Benzene at 101.3 kPa
Tboil	369.90	K	Measurement and Correlation of Isobaric Vapor-Liquid Equilibrium for Binary Systems of Allyl Alcohol with Isobutyl Acetate, Butyl Acetate, and Butyl Propionate at 101.3 kPa
Tboil	369.94	K	Isobaric Vapor-Liquid Phase Equilibrium Measurements for Allyl Alcohol with Chloroform, Ethyl Acetate, and Methyl Propionate at 101.3 kPa
Tboil	370.23	K	KDB
Tboil	370.30	K	NIST
Tboil	370.00	K	NIST
Tboil	370.25 ± 0.30	K	NIST
Tboil	369.62 ± 0.50	K	NIST
Tboil	370.23 ± 0.30	K	NIST
Tboil	370.07 ± 0.20	K	NIST
Tboil	370.00 ± 0.50	K	NIST
Tboil	370.00 ± 0.40	K	NIST
Tboil	370.10 ± 0.30	K	NIST
Tboil	370.10 ± 0.50	K	NIST
Tboil	369.60 ± 2.00	K	NIST
Tc	[545.00; 545.10]	K
Tc	545.00	K	KDB
Tc	545.10	K	NIST
Tc	545.10	K	NIST
Tfus	144.00	K	KDB
Vc	0.203	m3/kmol	KDB
Zc	0.2384660		KDB

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[88.33; 115.41]	J/mol×K	[356.90; 522.27]
Cp,gas	88.33	J/mol×K	356.90	Joback Calculated Property
Cp,gas	93.33	J/mol×K	384.46	Joback Calculated Property
Cp,gas	98.12	J/mol×K	412.02	Joback Calculated Property
Cp,gas	102.72	J/mol×K	439.59	Joback Calculated Property
Cp,gas	107.13	J/mol×K	467.15	Joback Calculated Property
Cp,gas	111.36	J/mol×K	494.71	Joback Calculated Property
Cp,gas	115.41	J/mol×K	522.27	Joback Calculated Property
Cp,liquid	[134.61; 160.30]	J/mol×K	[273.41; 324.46]
Cp,liquid	134.61	J/mol×K	273.41	Heat Capacities of 2-Propenol and Selected Cyclohexylalcohols
Cp,liquid	134.94	J/mol×K	273.41	Heat Capacities of 2-Propenol and Selected Cyclohexylalcohols
Cp,liquid	137.19	J/mol×K	278.52	Heat Capacities of 2-Propenol and Selected Cyclohexylalcohols
Cp,liquid	137.35	J/mol×K	278.52	Heat Capacities of 2-Propenol and Selected Cyclohexylalcohols
Cp,liquid	139.43	J/mol×K	283.62	Heat Capacities of 2-Propenol and Selected Cyclohexylalcohols
Cp,liquid	139.18	J/mol×K	283.62	Heat Capacities of 2-Propenol and Selected Cyclohexylalcohols
Cp,liquid	141.93	J/mol×K	288.72	Heat Capacities of 2-Propenol and Selected Cyclohexylalcohols
Cp,liquid	141.68	J/mol×K	288.72	Heat Capacities of 2-Propenol and Selected Cyclohexylalcohols
Cp,liquid	144.34	J/mol×K	293.83	Heat Capacities of 2-Propenol and Selected Cyclohexylalcohols
Cp,liquid	144.17	J/mol×K	293.83	Heat Capacities of 2-Propenol and Selected Cyclohexylalcohols
Cp,liquid	138.90	J/mol×K	298.00	NIST
Cp,liquid	146.67	J/mol×K	298.93	Heat Capacities of 2-Propenol and Selected Cyclohexylalcohols
Cp,liquid	146.50	J/mol×K	298.93	Heat Capacities of 2-Propenol and Selected Cyclohexylalcohols
Cp,liquid	149.16	J/mol×K	304.04	Heat Capacities of 2-Propenol and Selected Cyclohexylalcohols
Cp,liquid	149.08	J/mol×K	304.04	Heat Capacities of 2-Propenol and Selected Cyclohexylalcohols
Cp,liquid	152.32	J/mol×K	309.14	Heat Capacities of 2-Propenol and Selected Cyclohexylalcohols
Cp,liquid	151.82	J/mol×K	309.14	Heat Capacities of 2-Propenol and Selected Cyclohexylalcohols
Cp,liquid	154.82	J/mol×K	314.25	Heat Capacities of 2-Propenol and Selected Cyclohexylalcohols
Cp,liquid	154.40	J/mol×K	314.25	Heat Capacities of 2-Propenol and Selected Cyclohexylalcohols
Cp,liquid	157.23	J/mol×K	319.35	Heat Capacities of 2-Propenol and Selected Cyclohexylalcohols
Cp,liquid	157.06	J/mol×K	319.35	Heat Capacities of 2-Propenol and Selected Cyclohexylalcohols
Cp,liquid	160.14	J/mol×K	324.46	Heat Capacities of 2-Propenol and Selected Cyclohexylalcohols
Cp,liquid	160.30	J/mol×K	324.46	Heat Capacities of 2-Propenol and Selected Cyclohexylalcohols
η	[0.0003781; 0.1538622]	Pa×s	[182.63; 356.90]
η	0.1538622	Pa×s	182.63	Joback Calculated Property
η	0.0284333	Pa×s	211.67	Joback Calculated Property
η	0.0078973	Pa×s	240.72	Joback Calculated Property
η	0.0028903	Pa×s	269.76	Joback Calculated Property
η	0.0012861	Pa×s	298.81	Joback Calculated Property
η	0.0006605	Pa×s	327.86	Joback Calculated Property
η	0.0003781	Pa×s	356.90	Joback Calculated Property
ΔvapH	[39.96; 46.70]	kJ/mol	[311.50; 369.70]
ΔvapH	46.70	kJ/mol	311.50	NIST
ΔvapH	44.60	kJ/mol	325.00	NIST
ΔvapH	39.96	kJ/mol	369.70	KDB
Pvap	[6.95; 520.67]	kPa	[311.42; 423.15]
Pvap	6.95	kPa	311.42	Vapor-Liquid Equilibrium for Benzene + 2-Methylpentane and Allyl Alcohol + 1-Propanol
Pvap	7.67	kPa	313.15	Vapor-Liquid Equilibrium for Benzene + 2-Methylpentane and Allyl Alcohol + 1-Propanol
Pvap	8.87	kPa	315.81	Vapor-Liquid Equilibrium for Benzene + 2-Methylpentane and Allyl Alcohol + 1-Propanol
Pvap	11.08	kPa	319.97	Vapor-Liquid Equilibrium for Benzene + 2-Methylpentane and Allyl Alcohol + 1-Propanol
Pvap	15.67	kPa	326.70	Vapor-Liquid Equilibrium for Benzene + 2-Methylpentane and Allyl Alcohol + 1-Propanol
Pvap	20.19	kPa	331.84	Vapor-Liquid Equilibrium for Benzene + 2-Methylpentane and Allyl Alcohol + 1-Propanol
Pvap	21.51	kPa	333.15	Vapor-Liquid Equilibrium for Benzene + 2-Methylpentane and Allyl Alcohol + 1-Propanol
Pvap	22.60	kPa	334.20	Vapor-Liquid Equilibrium for Benzene + 2-Methylpentane and Allyl Alcohol + 1-Propanol
Pvap	26.94	kPa	337.96	Vapor-Liquid Equilibrium for Benzene + 2-Methylpentane and Allyl Alcohol + 1-Propanol
Pvap	31.72	kPa	341.54	Vapor-Liquid Equilibrium for Benzene + 2-Methylpentane and Allyl Alcohol + 1-Propanol
Pvap	35.82	kPa	344.27	Vapor-Liquid Equilibrium for Benzene + 2-Methylpentane and Allyl Alcohol + 1-Propanol
Pvap	40.30	kPa	346.97	Vapor-Liquid Equilibrium for Benzene + 2-Methylpentane and Allyl Alcohol + 1-Propanol
Pvap	48.61	kPa	351.37	Vapor-Liquid Equilibrium for Benzene + 2-Methylpentane and Allyl Alcohol + 1-Propanol
Pvap	52.33	kPa	353.15	Vapor-Liquid Equilibrium for Benzene + 2-Methylpentane and Allyl Alcohol + 1-Propanol
Pvap	52.34	kPa	353.15	Vapor-Liquid Equilibrium for Benzene + 2-Methylpentane and Allyl Alcohol + 1-Propanol
Pvap	53.30	kPa	353.59	Vapor-Liquid Equilibrium for Benzene + 2-Methylpentane and Allyl Alcohol + 1-Propanol
Pvap	58.11	kPa	355.70	Vapor-Liquid Equilibrium for Benzene + 2-Methylpentane and Allyl Alcohol + 1-Propanol
Pvap	101.30	kPa	369.75	Vapor-Liquid Equilibrium for Binary Systems of Allyl Alcohol + Water and Allyl Alcohol + Benzene at 101.3 kPa
Pvap	101.30	kPa	369.94	Isobaric Vapor-Liquid Phase Equilibrium Measurements for Allyl Alcohol with Chloroform, Ethyl Acetate, and Methyl Propionate at 101.3 kPa
Pvap	113.10	kPa	373.15	Vapor Liquid Equilibrium for Several Compounds Relevant to the Biofuels Industry Modeled with the Wilson Equation
Pvap	109.94	kPa	373.15	Vapor Liquid Equilibrium for Several Compounds Relevant to the Biofuels Industry Modeled with the Wilson Equation
Pvap	109.95	kPa	373.15	Vapor Liquid Equilibrium for Several Compounds Relevant to the Biofuels Industry Modeled with the Wilson Equation
Pvap	520.67	kPa	423.15	Vapor Liquid Equilibrium for Several Compounds Relevant to the Biofuels Industry Modeled with the Wilson Equation
Pvap	518.64	kPa	423.15	Vapor Liquid Equilibrium for Several Compounds Relevant to the Biofuels Industry Modeled with the Wilson Equation
Pvap	518.11	kPa	423.15	Vapor Liquid Equilibrium for Several Compounds Relevant to the Biofuels Industry Modeled with the Wilson Equation
n0	1.41280		293.15	Solubility of hydrogen in bio-oil compounds
ρl	[832.63; 855.00]	kg/m3	[288.00; 318.15]
ρl	855.00	kg/m3	288.00	KDB
ρl	855.00	kg/m3	293.15	Salts effect on isobaric vapor-liquid equilibrium for separation of the azeotropic mixture allyl alcohol + water
ρl	854.00	kg/m3	293.15	Isobaric Vapor Liquid Equilibrium for Binary Systems of Allyl Alcohol with Water, Methanol, and Ethanol at 101.3 kPa
ρl	850.40	kg/m3	298.15	Volumetric properties for binary and ternary mixtures of allyl alcohol, 1,3-dichloro-2-propanol and 1-ethyl-3-methyl imidazolium ethyl sulfate [Emim][EtSO4] from T = 298.15 to 318.15 K at ambient pressure
ρl	846.02	kg/m3	303.15	Volumetric properties for binary and ternary mixtures of allyl alcohol, 1,3-dichloro-2-propanol and 1-ethyl-3-methyl imidazolium ethyl sulfate [Emim][EtSO4] from T = 298.15 to 318.15 K at ambient pressure
ρl	841.59	kg/m3	308.15	Volumetric properties for binary and ternary mixtures of allyl alcohol, 1,3-dichloro-2-propanol and 1-ethyl-3-methyl imidazolium ethyl sulfate [Emim][EtSO4] from T = 298.15 to 318.15 K at ambient pressure
ρl	837.13	kg/m3	313.15	Volumetric properties for binary and ternary mixtures of allyl alcohol, 1,3-dichloro-2-propanol and 1-ethyl-3-methyl imidazolium ethyl sulfate [Emim][EtSO4] from T = 298.15 to 318.15 K at ambient pressure
ρl	832.63	kg/m3	318.15	Volumetric properties for binary and ternary mixtures of allyl alcohol, 1,3-dichloro-2-propanol and 1-ethyl-3-methyl imidazolium ethyl sulfate [Emim][EtSO4] from T = 298.15 to 318.15 K at ambient pressure
γ	0.03	N/m	293.20	KDB

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 5709.21]	kPa	[282.38; 545.10]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.59415e+01
Coefficient B			-3.58605e+03
Coefficient C			-5.33010e+01
Temperature range, min.			282.38
Temperature range, max.			545.10
Pvap	1.33	kPa	282.38	Calculated Property
Pvap	7.82	kPa	311.57	Calculated Property
Pvap	32.03	kPa	340.76	Calculated Property
Pvap	101.15	kPa	369.95	Calculated Property
Pvap	263.10	kPa	399.14	Calculated Property
Pvap	589.70	kPa	428.34	Calculated Property
Pvap	1176.30	kPa	457.53	Calculated Property
Pvap	2138.00	kPa	486.72	Calculated Property
Pvap	3603.71	kPa	515.91	Calculated Property
Pvap	5709.21	kPa	545.10	Calculated Property
Pvap	[2.91e-09; 5618.34]	kPa	[144.15; 545.05]	KDB Vapor Pressure Data
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			5.40943e+01
Coefficient B			-6.87755e+03
Coefficient C			-5.24079e+00
Coefficient D			6.03381e-07
Temperature range, min.			144.15
Temperature range, max.			545.05
Pvap	2.91e-09	kPa	144.15	Calculated Property
Pvap	5.57e-05	kPa	188.69	Calculated Property
Pvap	0.02	kPa	233.24	Calculated Property
Pvap	0.90	kPa	277.78	Calculated Property
Pvap	12.82	kPa	322.33	Calculated Property
Pvap	88.42	kPa	366.87	Calculated Property
Pvap	376.98	kPa	411.42	Calculated Property
Pvap	1152.71	kPa	455.96	Calculated Property
Pvap	2778.06	kPa	500.51	Calculated Property
Pvap	5618.34	kPa	545.05	Calculated Property

Similar Compounds

Find more compounds similar to Allyl alcohol.

Mixtures

• Allyl alcohol + Water
• 2-Propanol, 1,3-dichloro- + Allyl alcohol
• Hydrogen + Allyl alcohol
• Allyl alcohol + 2-Pyrrolidinone, 1-methyl-
• Allyl alcohol + Formamide, N-methyl-
• 1,2-Ethanediol + Allyl alcohol
• Allyl alcohol + Methyl Alcohol
• Allyl alcohol + Ethanol
• Monoethanolamine + Allyl alcohol
• Furfural + Allyl alcohol
• Allyl alcohol + Acetic acid, butyl ester
• Propane + Allyl alcohol
• Propene + Allyl alcohol
• Butane + Allyl alcohol
• Allyl alcohol + Isobutane
• 1-Butene + Allyl alcohol
• Allyl alcohol + 1-Propene, 2-methyl-
• Allyl alcohol + 2-Butene, (E)-
• Allyl alcohol + 1,3-Butadiene
• Allyl alcohol + 2-Butene, (Z)-

Find more mixtures with Allyl alcohol.

Sources

• KDB Vapor Pressure Data
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Salts effect on isobaric vapor-liquid equilibrium for separation of the azeotropic mixture allyl alcohol + water
• Solubility of hydrogen in bio-oil compounds
• Separation of azeotrope (allyl alcohol + water): Isobaric vapour-liquid phase equilibrium measurements and extractive distillation
• Heat Capacities of 2-Propenol and Selected Cyclohexylalcohols
• Volumetric properties for binary and ternary mixtures of allyl alcohol, 1,3-dichloro-2-propanol and 1-ethyl-3-methyl imidazolium ethyl sulfate [Emim][EtSO4] from T = 298.15 to 318.15 K at ambient pressure
• Isobaric Vapor Liquid Equilibrium for Binary Systems of Allyl Alcohol with Water, Methanol, and Ethanol at 101.3 kPa
• Vapor-Liquid Equilibrium for Binary Systems of Allyl Alcohol + Water and Allyl Alcohol + Benzene at 101.3 kPa
• Measurement and Correlation of Isobaric Vapor-Liquid Equilibrium for Binary Systems of Allyl Alcohol with Isobutyl Acetate, Butyl Acetate, and Butyl Propionate at 101.3 kPa
• Isobaric Vapor-Liquid Phase Equilibrium Measurements for Allyl Alcohol with Chloroform, Ethyl Acetate, and Methyl Propionate at 101.3 kPa
• Vapor-Liquid Equilibrium for Benzene + 2-Methylpentane and Allyl Alcohol + 1-Propanol
• Henry's Law Constants and Infinite Dilution Activity Coefficients of Propane, Propene, Butane, 2-Methylpropane, 1-Butene, 2-Methylpropene, trans-2-Butene, cis-2-Butene, 1,3-Butadiene, Dimethyl Ether, Chloroethane, and 1,1-Difluoroethane in 2-Propen-1-ol
• Critical Point and Vapor Pressure Measurements for Seven Compounds by a Low Residence Time Flow Method
• Vapor Liquid Equilibrium for Several Compounds Relevant to the Biofuels Industry Modeled with the Wilson Equation
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.