Chemical Properties of Acetic acid, pentyl ester (CAS 628-63-7)

Acetic acid, pentyl ester

InChI
InChI=1S/C7H14O2/c1-3-4-5-6-9-7(2)8/h3-6H2,1-2H3
InChI Key
PGMYKACGEOXYJE-UHFFFAOYSA-N
Formula
C7H14O2
SMILES
CCCCCOC(C)=O
Molecular Weight1
130.18
CAS
628-63-7
Other Names
  • 1-Acetoxypentane
  • 1-PENTYL ACETATE
  • 1-Pentanol acetate
  • AMYL ACETIC ESTER
  • Acetate d'amyle
  • Acetic acid n-amyl ester
  • Acetic acid, amyl ester
  • Acetic acid, n-pentyl ester
  • Amyl acetate
  • Amyl acetic ether
  • Amylazetat
  • Amylester kyseliny octove
  • Banana oil
  • Birnenoel
  • N-AMYL ACETATE
  • N-PENTYL ACETATE
  • NSC 7923
  • Octan amylu
  • Pear oil
  • Pent-acetate
  • Pent-acetate 28
  • Pentyl acetate
  • Pentyl ester of acetic acid
  • Primary amyl acetate
  • acetic acid, n-amyl ester
  • ethanoic acid, pentyl ester
  • n-Pentyl ethanoate
  • pentyl ethanoate
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Physical Properties

Property Value Unit Source
ω 0.4837 Relay (1.0) Calculated Property
Δcliquid -4372.13 kJ/mol NIST
Δf -225.86 kJ/mol Joback Calculated Property
Δfgas -516.82 kJ/mol Relay (1.0) Calculated Property
Δfus 16.67 kJ/mol Joback Calculated Property
Δvap 48.60 ± 0.40 kJ/mol NIST
IE 9.83 eV Relay (1.0) Calculated Property
log10WS [-1.89; -1.89]   Show Hide
log10WS -1.89 Aq. Solubility Prediction
log10WS -1.89 Estimated Solubility
logPoct/wat 1.740 Crippen Calculated Property
McVol 116.930 ml/mol McGowan Calculated Property
NFPA Fire 1 KDB
Pc [2685.00; 2770.00] kPa Show Hide
Pc 2685.00 ± 150.00 kPa NIST
Pc 2770.00 ± 20.00 kPa NIST
ρc 277.42 ± 11.98 kg/m3 NIST
Inp [848.00; 928.00]   Show Hide
Inp 896.40 NIST
Inp 887.63 NIST
Inp 908.68 NIST
Inp 867.00 NIST
Inp 910.30 NIST
Inp 909.30 NIST
Inp 907.60 NIST
Inp 885.00 NIST
Inp 867.00 NIST
Inp 879.00 NIST
Inp 912.00 NIST
Inp 912.00 NIST
Inp 896.50 NIST
Inp Outlier 856.00 NIST
Inp 868.00 NIST
Inp Outlier 855.00 NIST
Inp 891.00 NIST
Inp 891.00 NIST
Inp 893.00 NIST
Inp Outlier 848.00 NIST
Inp 899.00 NIST
Inp 898.00 NIST
Inp Outlier 855.00 NIST
Inp Outlier 856.00 NIST
Inp 866.00 NIST
Inp 893.00 NIST
Inp 899.00 NIST
Inp 895.00 NIST
Inp 898.00 NIST
Inp 898.00 NIST
Inp 895.00 NIST
Inp 898.00 NIST
Inp 903.00 NIST
Inp 905.00 NIST
Inp 919.00 NIST
Inp 891.00 NIST
Inp Outlier 859.00 NIST
Inp 916.00 NIST
Inp 904.00 NIST
Inp 916.00 NIST
Inp 914.00 NIST
Inp 893.00 NIST
Inp 926.00 NIST
Inp 928.00 NIST
Inp 893.00 NIST
Inp 917.00 NIST
Inp 892.00 NIST
Inp 918.00 NIST
Inp 896.00 NIST
Inp 912.00 NIST
Inp 916.00 NIST
Inp 906.00 NIST
Inp 913.00 NIST
Inp 893.00 NIST
Inp 895.00 NIST
Inp 905.00 NIST
Inp 880.00 NIST
Inp 893.00 NIST
Inp 893.00 NIST
Inp 915.00 NIST
Inp 910.00 NIST
Inp Outlier 859.00 NIST
Inp 897.00 NIST
Inp 911.00 NIST
Inp 890.00 NIST
Inp 894.00 NIST
Inp 895.00 NIST
Inp 897.00 NIST
Inp 896.00 NIST
Inp 896.00 NIST
Inp 895.00 NIST
Inp 916.00 NIST
Inp 916.00 NIST
Inp 914.00 NIST
Inp 891.00 NIST
Inp 906.00 NIST
Inp 891.00 NIST
Inp 891.00 NIST
Inp 919.00 NIST
Inp 895.00 NIST
Inp 904.00 NIST
Inp 891.00 NIST
Inp 912.00 NIST
Inp 916.00 NIST
Inp 918.00 NIST
Inp 895.00 NIST
Inp 891.00 NIST
Inp 896.00 NIST
Inp 897.00 NIST
Inp 892.00 NIST
Inp 892.00 NIST
Inp 895.00 NIST
Inp 895.00 NIST
Inp 895.00 NIST
Inp 898.00 NIST
Inp Outlier 859.00 NIST
Inp 893.00 NIST
Inp 892.00 NIST
I [1150.00; 1222.00]   Show Hide
I 1195.00 NIST
I 1182.00 NIST
I Outlier 1212.00 NIST
I 1168.00 NIST
I 1182.00 NIST
I 1177.00 NIST
I 1175.00 NIST
I 1177.00 NIST
I 1196.00 NIST
I 1170.00 NIST
I 1160.00 NIST
I 1183.00 NIST
I 1152.00 NIST
I 1176.00 NIST
I 1193.00 NIST
I 1175.00 NIST
I 1169.00 NIST
I 1161.00 NIST
I 1167.00 NIST
I 1176.00 NIST
I 1179.00 NIST
I 1181.00 NIST
I 1167.00 NIST
I 1152.00 NIST
I 1169.00 NIST
I 1180.00 NIST
I 1176.00 NIST
I Outlier 1204.00 NIST
I 1162.00 NIST
I 1192.00 NIST
I 1169.00 NIST
I 1150.00 NIST
I 1161.00 NIST
I 1185.00 NIST
I 1176.00 NIST
I 1161.00 NIST
I 1173.00 NIST
I 1172.00 NIST
I 1167.00 NIST
I 1177.00 NIST
I 1180.00 NIST
I 1161.00 NIST
I 1174.00 NIST
I 1174.00 NIST
I Outlier 1222.00 NIST
I 1161.00 NIST
I 1159.00 NIST
I 1159.00 NIST
I 1183.00 NIST
I 1183.00 NIST
I 1183.00 NIST
I 1174.00 NIST
I 1185.00 NIST
I 1183.00 NIST
I 1180.00 NIST
I 1161.00 NIST
I 1183.00 NIST
I 1183.00 NIST
I 1177.00 NIST
I 1194.00 NIST
I 1194.00 NIST
I 1194.00 NIST
I 1161.00 NIST
I 1169.00 NIST
I 1182.00 NIST
Tboil 422.25 K Quaternary phase equilibrium of water-carboxylic acid mixture (formic-propionic acid or acetic-propionic acid)-solvent liquid systems at 298.15 K
Tc [599.90; 600.00] K Show Hide
Tc 600.00 ± 2.00 K NIST
Tc 599.90 ± 0.60 K NIST
Tfus [182.88; 202.35] K Show Hide
Tfus 182.88 K Aq. Solubility Prediction
Tfus 202.35 ± 0.30 K NIST
Vc 0.447 m3/kmol Relay (1.0) Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [238.65; 299.73] J/mol×K [435.85; 612.24] Show Hide
Cp,gas 238.65 J/mol×K 435.85 Joback Calculated Property
Cp,gas 249.76 J/mol×K 465.25 Joback Calculated Property
Cp,gas 260.50 J/mol×K 494.65 Joback Calculated Property
Cp,gas 270.86 J/mol×K 524.04 Joback Calculated Property
Cp,gas 280.85 J/mol×K 553.44 Joback Calculated Property
Cp,gas 290.48 J/mol×K 582.84 Joback Calculated Property
Cp,gas 299.73 J/mol×K 612.24 Joback Calculated Property
Cp,liquid 276.10 J/mol×K 304.00 NIST
η [0.0002656; 0.0031909] Pa×s [240.81; 435.85] Show Hide
η 0.0031909 Pa×s 240.81 Joback Calculated Property
η 0.0016480 Pa×s 273.32 Joback Calculated Property
η 0.0009795 Pa×s 305.82 Joback Calculated Property
η 0.0006434 Pa×s 338.33 Joback Calculated Property
η 0.0004549 Pa×s 370.84 Joback Calculated Property
η 0.0003401 Pa×s 403.34 Joback Calculated Property
η 0.0002656 Pa×s 435.85 Joback Calculated Property
ΔvapH 43.20 kJ/mol 376.00 NIST
Pvap [0.09; 79.99] kPa [274.20; 414.20] Show Hide
Pvap 0.09 kPa 274.20 Vapour pressures and enthalpies of vaporization of aliphatic esters
Pvap 0.09 kPa 274.30 Vapour pressures and enthalpies of vaporization of aliphatic esters
Pvap 0.10 kPa 275.60 Vapour pressures and enthalpies of vaporization of aliphatic esters
Pvap 0.10 kPa 275.60 Vapour pressures and enthalpies of vaporization of aliphatic esters
Pvap 0.11 kPa 278.20 Vapour pressures and enthalpies of vaporization of aliphatic esters
Pvap 0.14 kPa 280.80 Vapour pressures and enthalpies of vaporization of aliphatic esters
Pvap 0.17 kPa 283.20 Vapour pressures and enthalpies of vaporization of aliphatic esters
Pvap 0.24 kPa 288.20 Vapour pressures and enthalpies of vaporization of aliphatic esters
Pvap 0.34 kPa 293.30 Vapour pressures and enthalpies of vaporization of aliphatic esters
Pvap 0.48 kPa 298.40 Vapour pressures and enthalpies of vaporization of aliphatic esters
Pvap 0.66 kPa 303.30 Vapour pressures and enthalpies of vaporization of aliphatic esters
Pvap 0.81 kPa 306.70 Vapour pressures and enthalpies of vaporization of aliphatic esters
Pvap 0.90 kPa 308.20 Vapour pressures and enthalpies of vaporization of aliphatic esters
Pvap 1.03 kPa 310.60 Vapour pressures and enthalpies of vaporization of aliphatic esters
Pvap 1.22 kPa 313.40 Vapour pressures and enthalpies of vaporization of aliphatic esters
Pvap 26.66 kPa 380.05 Isobaric Vapor-Liquid Equilibria of the Ternary System Toluene + Ethylbenzene + Amyl Acetate
Pvap 53.33 kPa 400.72 Isobaric Vapor-Liquid Equilibria of the Ternary System Toluene + Ethylbenzene + Amyl Acetate
Pvap 79.99 kPa 414.20 Isobaric Vapor-Liquid Equilibria of the Ternary System Toluene + Ethylbenzene + Amyl Acetate
n0 [1.39100; 1.40270]   [293.13; 318.15] Show Hide
n0 1.40270 293.13 Isobaric Vapor-Liquid Equilibria of the Ternary System Pentan-1-ol + Pentyl Acetate + Nonane
n0 1.40260 293.15 Phase equilibria of water + 1-propanol + solvent (n-amyl acetate, cyclohexanol, and cyclohexyl acetate) at T = 298.2K
n0 1.40210 293.15 Isobaric Vapor-Liquid Equilibria for Water + Acetic Acid + (n-Pentyl Acetate or Isopropyl Acetate)
n0 1.39990 298.15 Isobaric Vapor-Liquid Equilibria of Binary Mixtures of Diethyl Carbonate with Methyl Acetate, n-Propyl Acetate, or Amyl Acetate at 100.17 kPa
n0 1.40050 298.15 Isobaric Vapor-Liquid Equilibrium for Binary Mixtures of 3-Methyl-1-butanol + 3-Methyl-1-butyl Ethanoate and 1-Pentanol + Pentyl Ethanoate at 101.3 kPa
n0 1.39910 298.20 Experimental and correlated liquid-liquid equilibrium data for water-phosphoric acid-ester
n0 1.39610 303.15 Densities, speeds of sound, isentropic compressibilities, refractive indexes, and viscosities of tetrahydrofuran with haloalkane or alkyl ethanoate at T = 303.15 K
n0 1.39100 318.15 Thermodynamic properties of (an ester + an alkane). XVI. Experimental HEm and V Em values and a new correlation method for (an alkyl ethanoate + an n-alkane) at 318.15 K
ρl [855.36; 876.25] kg/m3 [293.15; 313.15] Show Hide
ρl 876.25 kg/m3 293.15 Volumetric and FT-IR Studies of the Binary Liquid Mixtures of Tributylamine and Alkyl Ester (C1-C5)
ρl 870.17 kg/m3 298.15 Experimental and theoretical study of surface tension of binary mixtures of (n-alkyl acetates + heptane, benzene, and toluene)
ρl 871.32 kg/m3 298.15 Volumetric and FT-IR Studies of the Binary Liquid Mixtures of Tributylamine and Alkyl Ester (C1-C5)
ρl 870.17 kg/m3 298.15 Surface Tension and Surface Properties of Binary Mixtures of 1,4-Dioxane or N,N-Dimethyl Formamide with n-Alkyl Acetates
ρl 865.78 kg/m3 303.15 Volumetric and FT-IR Studies of the Binary Liquid Mixtures of Tributylamine and Alkyl Ester (C1-C5)
ρl 860.58 kg/m3 308.15 Volumetric and FT-IR Studies of the Binary Liquid Mixtures of Tributylamine and Alkyl Ester (C1-C5)
ρl 855.36 kg/m3 313.15 Volumetric and FT-IR Studies of the Binary Liquid Mixtures of Tributylamine and Alkyl Ester (C1-C5)

Datasets

Mass density, kg/m3

Fixed Measured
Temperature, K - Liquid Pressure, kPa - Liquid Mass density, kg/m3 - Liquid
298.15 100.00 871.4
298.15 1000.00 871.9
298.15 2000.00 872.7
298.15 2700.00 873.3
298.15 3000.00 873.5
298.15 5000.00 875.3
298.15 10000.00 879.1
298.15 15000.00 882.7
298.15 20000.00 886.2
298.15 25000.00 889.6
298.15 30000.00 893.6
298.15 35000.00 897.9
303.15 100.00 866.5
303.15 1000.00 867.1
303.15 2000.00 867.9
303.15 2700.00 868.5
303.15 3000.00 868.7
303.15 5000.00 870.5
303.15 10000.00 874.4
303.15 15000.00 878.1
303.15 20000.00 881.6
303.15 25000.00 885.1
303.15 30000.00 889.4
303.15 35000.00 893.8
308.15 100.00 861.6
308.15 1000.00 862.2
308.15 2000.00 863.1
308.15 2700.00 863.7
308.15 3000.00 863.9
308.15 5000.00 865.8
308.15 10000.00 869.8
308.15 15000.00 873.6
308.15 20000.00 877.3
308.15 25000.00 880.8
308.15 30000.00 885.2
308.15 35000.00 889.7
313.15 100.00 856.7
313.15 1000.00 857.4
313.15 2000.00 858.3
313.15 2700.00 858.9
313.15 3000.00 859.2
313.15 5000.00 861.0
313.15 10000.00 865.2
313.15 15000.00 869.0
313.15 20000.00 872.8
313.15 25000.00 876.4
313.15 30000.00 880.9
313.15 35000.00 885.5
318.15 100.00 851.9
318.15 1000.00 852.6
318.15 2000.00 853.5
318.15 2700.00 854.2
318.15 3000.00 854.4
318.15 5000.00 856.4
318.15 10000.00 860.7
318.15 15000.00 864.7
318.15 20000.00 868.5
318.15 25000.00 872.3
318.15 30000.00 876.9
318.15 35000.00 881.7
323.15 100.00 847.1
323.15 1000.00 847.7
323.15 2000.00 848.7
323.15 2700.00 849.3
323.15 3000.00 849.6
323.15 5000.00 851.7
323.15 10000.00 856.1
323.15 15000.00 860.2
323.15 20000.00 864.2
323.15 25000.00 868.1
323.15 30000.00 872.8
323.15 35000.00 877.6
328.15 100.00 842.3
328.15 1000.00 843.2
328.15 2000.00 844.4
328.15 2700.00 845.2
328.15 3000.00 845.5
328.15 5000.00 847.1
328.15 10000.00 851.6
328.15 15000.00 855.9
328.15 20000.00 860.0
328.15 25000.00 864.1
328.15 30000.00 869.0
328.15 35000.00 874.0
333.15 100.00 837.8
333.15 1000.00 838.7
333.15 2000.00 839.8
333.15 2700.00 840.5
333.15 3000.00 840.8
333.15 5000.00 842.7
333.15 10000.00 847.4
333.15 15000.00 851.8
333.15 20000.00 856.0
333.15 25000.00 860.1
333.15 30000.00 865.1
333.15 35000.00 870.2
338.15 100.00 832.9
338.15 1000.00 834.0
338.15 2000.00 835.1
338.15 2700.00 835.8
338.15 3000.00 836.1
338.15 5000.00 838.1
338.15 10000.00 842.9
338.15 15000.00 847.5
338.15 20000.00 851.9
338.15 25000.00 856.2
338.15 30000.00 861.3
338.15 35000.00 866.5
343.15 100.00 828.3
343.15 1000.00 829.3
343.15 2000.00 830.4
343.15 2700.00 831.2
343.15 3000.00 831.5
343.15 5000.00 833.5
343.15 10000.00 838.5
343.15 15000.00 843.2
343.15 20000.00 847.7
343.15 25000.00 852.1
343.15 30000.00 857.3
343.15 35000.00 862.7
348.15 100.00 823.2
348.15 1000.00 824.6
348.15 2000.00 825.7
348.15 2700.00 826.5
348.15 3000.00 826.9
348.15 5000.00 828.8
348.15 10000.00 834.0
348.15 15000.00 838.9
348.15 20000.00 843.5
348.15 25000.00 847.9
348.15 30000.00 853.3
348.15 35000.00 858.8
353.15 100.00 818.7
353.15 1000.00 819.9
353.15 2000.00 821.1
353.15 2700.00 821.9
353.15 3000.00 822.3
353.15 5000.00 824.4
353.15 10000.00 829.8
353.15 15000.00 835.0
353.15 20000.00 839.7
353.15 25000.00 844.3
353.15 30000.00 849.8
353.15 35000.00 855.4
358.15 100.00 811.3
358.15 1000.00 812.2
358.15 2000.00 813.4
358.15 2700.00 814.1
358.15 3000.00 814.5
358.15 5000.00 816.9
358.15 10000.00 822.5
358.15 15000.00 827.7
358.15 20000.00 832.5
358.15 25000.00 838.0
358.15 30000.00 843.9
358.15 35000.00 849.7
363.15 100.00 806.3
363.15 1000.00 807.4
363.15 2000.00 808.7
363.15 2700.00 809.6
363.15 3000.00 809.9
363.15 5000.00 812.4
363.15 10000.00 818.1
363.15 15000.00 823.4
363.15 20000.00 828.3
363.15 25000.00 833.9
363.15 30000.00 839.9
363.15 35000.00 845.6
368.15 100.00 801.2
368.15 1000.00 802.3
368.15 2000.00 803.7
368.15 2700.00 804.6
368.15 3000.00 805.0
368.15 5000.00 807.5
368.15 10000.00 813.4
368.15 15000.00 818.8
368.15 20000.00 824.0
368.15 25000.00 829.8
368.15 30000.00 835.9
368.15 35000.00 841.4
373.15 100.00 795.5
373.15 1000.00 796.4
373.15 2000.00 797.7
373.15 2700.00 799.5
373.15 3000.00 799.0
373.15 5000.00 802.5
373.15 10000.00 808.2
373.15 15000.00 813.9
373.15 20000.00 819.8
373.15 25000.00 826.3
373.15 30000.00 831.3
378.15 100.00 790.4
378.15 1000.00 791.6
378.15 2000.00 793.1
378.15 2700.00 794.0
378.15 3000.00 794.4
378.15 5000.00 797.1
378.15 10000.00 803.5
383.15 100.00 786.8
383.15 1000.00 788.1
383.15 2000.00 789.6
383.15 2700.00 790.7
383.15 3000.00 791.1
383.15 5000.00 793.9
383.15 10000.00 800.5
383.15 15000.00 806.6
383.15 20000.00 811.7
383.15 25000.00 816.5
383.15 30000.00 824.0
383.15 35000.00 830.0
388.15 100.00 781.9
388.15 1000.00 783.4
388.15 2000.00 785.0
388.15 2700.00 786.0
388.15 3000.00 786.5
388.15 5000.00 789.4
388.15 10000.00 796.3
388.15 15000.00 802.5
388.15 20000.00 808.1
388.15 25000.00 813.7
388.15 30000.00 819.7
388.15 35000.00 826.2
393.15 100.00 777.2
393.15 1000.00 778.7
393.15 2000.00 780.3
393.15 2700.00 781.4
393.15 3000.00 781.9
393.15 5000.00 784.9
393.15 10000.00 791.9
393.15 15000.00 798.4
393.15 20000.00 803.9
393.15 25000.00 809.7
393.15 30000.00 815.7
393.15 35000.00 822.2
Reference

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.66] kPa [316.02; 444.97] The Yaws Handbook of Vapor Pressure Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.53552e+01
Coefficient B-3.88429e+03
Coefficient C-5.82300e+01
Temperature range, min.316.02
Temperature range, max.444.97
Pvap 1.33 kPa 316.02 Calculated Property
Pvap 2.95 kPa 330.35 Calculated Property
Pvap 6.02 kPa 344.68 Calculated Property
Pvap 11.48 kPa 359.00 Calculated Property
Pvap 20.66 kPa 373.33 Calculated Property
Pvap 35.31 kPa 387.66 Calculated Property
Pvap 57.72 kPa 401.99 Calculated Property
Pvap 90.72 kPa 416.31 Calculated Property
Pvap 137.71 kPa 430.64 Calculated Property
Pvap 202.66 kPa 444.97 Calculated Property
Pvap [2.28e-05; 2719.53] kPa [202.35; 598.00] KDB Vapor Pressure Data Show Hide
Equationln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A8.62684e+01
Coefficient B-8.63027e+03
Coefficient C-1.02643e+01
Coefficient D4.74624e-06
Temperature range, min.202.35
Temperature range, max.598.00
Pvap 2.28e-05 kPa 202.35 Calculated Property
Pvap 6.72e-03 kPa 246.31 Calculated Property
Pvap 0.28 kPa 290.27 Calculated Property
Pvap 3.76 kPa 334.23 Calculated Property
Pvap 24.65 kPa 378.19 Calculated Property
Pvap 101.45 kPa 422.16 Calculated Property
Pvap 303.74 kPa 466.12 Calculated Property
Pvap 728.14 kPa 510.08 Calculated Property
Pvap 1489.89 kPa 554.04 Calculated Property
Pvap 2719.53 kPa 598.00 Calculated Property

Similar Compounds

pentyl-d2 acetate. pentyl-d3 acetate. 1,5-Diacetoxypentane. Acetic acid, hexyl ester. hexyl-d3 acetate. Acetic acid, heptyl ester. Heptacosyl acetate. pentacosyl acetate. Acetic acid, decyl ester. Tetracosyl acetate. Triacontyl acetate. nonacosyl acetate. Acetic acid, nonyl ester. Tricosyl acetate. Tridecyl acetate.

Find more compounds similar to Acetic acid, pentyl ester.

Mixtures

Find more mixtures with Acetic acid, pentyl ester.

Sources

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