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

Allyl alcohol

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-1-01
  • 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
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Physical Properties

Property Value Unit Source
ω [0.5540; 0.5717]   Show Hide
ω 0.5717 PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
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 Show Hide
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 Show Hide
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 Show Hide
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; 5714.73] kPa Show Hide
Pc 5640.00 kPa Critical Point and Vapor Pressure Measurements for Seven Compounds by a Low Residence Time Flow Method
Pc 5714.73 kPa PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Pc 5310.00 kPa KDB
Inp [498.00; 576.00]   Show Hide
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
Ip [1097.00; 1167.00]   Show Hide
Ip 1130.00 NIST
Ip Outlier 1167.00 NIST
Ip 1128.00 NIST
Ip 1130.00 NIST
Ip Outlier 1167.00 NIST
Ip 1128.00 NIST
Ip 1145.00 NIST
Ip 1098.00 NIST
Ip 1109.00 NIST
Ip 1136.00 NIST
Ip 1116.00 NIST
Ip 1116.00 NIST
Ip 1109.00 NIST
Ip 1109.00 NIST
Ip 1107.00 NIST
Ip 1125.00 NIST
Ip 1125.00 NIST
Ip 1125.00 NIST
Ip 1100.00 NIST
Ip 1097.00 NIST
Ip 1119.00 NIST
Ip 1124.00 NIST
Ip 1124.00 NIST
Ip 1104.00 NIST
Ip 1144.00 NIST
Ip 1111.00 NIST
Ip 1138.00 NIST
Ip 1108.00 NIST
Ip 1110.00 NIST
Ip 1122.00 NIST
Ip 1100.00 NIST
Ip 1138.00 NIST
Tboil [369.60; 370.30] K Show Hide
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 Show Hide
Tc 545.10 K IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 4 Compiled value
Tc 545.00 K PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Tc 545.00 K KDB
Tc 545.10 K NIST
Tc 545.10 K NIST
Tfus [144.00; 144.15] K Show Hide
Tfus 144.15 K Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus 144.00 K KDB
Vc [0.203; 0.203] m3/kmol Show Hide
Vc 0.203 m3/kmol PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Vc 0.203 m3/kmol KDB
Zc 0.2384660 KDB

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,liquid [134.61; 160.30] J/mol×K [273.41; 324.46] Show Hide
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
ΔvapH [39.96; 46.70] kJ/mol [311.50; 369.70] Show Hide
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] Show Hide
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] Show Hide
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
Cp,gas [71.82; 164.26] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A2.46100e+00
Coefficient B3.02800e-01
Coefficient C-1.92700e-04
Coefficient D5.17000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 71.82 J/mol×K 273.00 Calculated Property
Cp,gas 87.76 J/mol×K 353.78 Calculated Property
Cp,gas 101.90 J/mol×K 434.56 Calculated Property
Cp,gas 114.40 J/mol×K 515.33 Calculated Property
Cp,gas 125.44 J/mol×K 596.11 Calculated Property
Cp,gas 135.17 J/mol×K 676.89 Calculated Property
Cp,gas 143.75 J/mol×K 757.67 Calculated Property
Cp,gas 151.35 J/mol×K 838.44 Calculated Property
Cp,gas 158.13 J/mol×K 919.22 Calculated Property
Cp,gas 164.26 J/mol×K 1000.00 Calculated Property
Property Value Unit Temperature (K) Source
η [4.1424789; 0.0002518] Pa×s [144.07; 381.54] Joback Predicted correlation Show Hide
EquationY = exp(A + B/T + C·ln(T) + D·T^E)
Y is η in Pa×s, T in K
Coefficient A-1.41772e+01
Coefficient B2.24735e+03
Coefficient C0.00000e+00
Coefficient D0.00000e+00
Coefficient E0.00000e+00
CommentLiquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.144.07
Temperature range, max.381.54
η 4.1424789 Pa×s 144.07 Calculated Property
η 0.3704027 Pa×s 170.46 Calculated Property
η 0.0632694 Pa×s 196.85 Calculated Property
η 0.0164112 Pa×s 223.23 Calculated Property
η 0.0056622 Pa×s 249.62 Calculated Property
η 0.0023944 Pa×s 276.00 Calculated Property
η 0.0011766 Pa×s 302.39 Calculated Property
η 0.0006480 Pa×s 328.77 Calculated Property
η 0.0003900 Pa×s 355.16 Calculated Property
η 0.0002518 Pa×s 381.54 Calculated Property
Property Value Unit Temperature (K) Source
Pvap [1.33; 5709.21] kPa [282.38; 545.10] The Yaws Handbook of Vapor Pressure Show Hide
Equationln(Y) = A + B/(T + C)
Y is Pvap in kPa, T in K
Coefficient A1.59415e+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 Show Hide
Equationln(Y) = A + B/T + C·ln(T) + D·T² + E/T²
Y is Pvap in kPa, T in K
Coefficient A5.40943e+01
Coefficient B-6.87755e+03
Coefficient C-5.24079e+00
Coefficient D6.03381e-07
Coefficient E0.00000e+00
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
Pvap [3.00; 101.32] kPa [294.00; 370.23] NIST Show Hide
Equationln(Y) = A + B/(T + C)
Y is Pvap in kPa, T in K
Coefficient A2.48277e+01
Coefficient B-1.03851e+04
Coefficient C1.43647e+02
ReferenceEwert, 1936
CommentCoefficents calculated by NIST from author's data.
Temperature range, min.294.00
Temperature range, max.370.23
Pvap 3.00 kPa 294.00 Calculated Property
Pvap 4.71 kPa 302.47 Calculated Property
Pvap 7.26 kPa 310.94 Calculated Property
Pvap 11.03 kPa 319.41 Calculated Property
Pvap 16.50 kPa 327.88 Calculated Property
Pvap 24.33 kPa 336.35 Calculated Property
Pvap 35.41 kPa 344.82 Calculated Property
Pvap 50.87 kPa 353.29 Calculated Property
Pvap 72.21 kPa 361.76 Calculated Property
Pvap 101.32 kPa 370.23 Calculated Property
Property Value Unit Temperature (K) Source
γ [0.04; 0.02] N/m [144.15; 370.15] Jasper (1972), surface tension of pure liquid compounds Compiled value Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is γ in N/m, T in K
Coefficient A5.21681e-02
Coefficient B-9.02000e-05
Coefficient C0.00000e+00
Coefficient D0.00000e+00
Coefficient E0.00000e+00
Temperature range, min.144.15
Temperature range, max.370.15
γ 0.04 N/m 144.15 Calculated Property
γ 0.04 N/m 169.26 Calculated Property
γ 0.03 N/m 194.37 Calculated Property
γ 0.03 N/m 219.48 Calculated Property
γ 0.03 N/m 244.59 Calculated Property
γ 0.03 N/m 269.71 Calculated Property
γ 0.03 N/m 294.82 Calculated Property
γ 0.02 N/m 319.93 Calculated Property
γ 0.02 N/m 345.04 Calculated Property
γ 0.02 N/m 370.15 Calculated Property

Similar Compounds

2-Buten-1-ol, (E)-. 2-Buten-1-ol, (Z)-. 2-Buten-1-ol. 2-Butene-1,4-diol. 2-Butene-1,4-diol, (Z)-. 2-Penten-4-yn-1-ol. 1-Propene, 3-methoxy-. 2,3-Butadien-1-ol. 2-Chloro-2-propen-1-ol. Hex-2-en-4-in-1-ol. Formic acid, 2-propenyl ester. 3,3-Dichloro-2-propene-1-ol. Allyl chloroformate. 1-Propene, 3,3'-oxybis-. 1-Propene, 3-(ethenyloxy)-.

Find more compounds similar to Allyl alcohol.

Mixtures

Find more mixtures with Allyl alcohol.

Sources

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