Chemical Properties of Isobutyl acetate (CAS 110-19-0)

Isobutyl acetate

InChI
InChI=1S/C6H12O2/c1-5(2)4-8-6(3)7/h5H,4H2,1-3H3
InChI Key
GJRQTCIYDGXPES-UHFFFAOYSA-N
Formula
C6H12O2
SMILES
CC(=O)OCC(C)C
Molecular Weight1
116.16
CAS
110-19-0
Other Names
  • 2-METHYL-1-PROPYL ACETATE
  • 2-METHYLPROPYL ESTER ACETIC ACID
  • 2-Methyl-1-propanol, acetate
  • 2-Methylpropyl acetate
  • 2-Methylpropyl ethanoate
  • Acetate d'isobutyle
  • Acetic acid, 2-methylpropyl ester
  • Acetic acid, isobutyl ester
  • ISOBUTYL ETHANOATE
  • Isobutyl acetate fcc
  • Isobutylester kyseliny octove
  • NSC 8035
  • UN 1213
  • ethanoic acid, isobutyl ester
  • i-Butyl acetate
  • «beta»-Methylpropyl ethanoate
  • «beta»-Methylpropyl ethanoate
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Physical Properties

Property Value Unit Source
ω 0.4550 KDB
Tig 695.93 K KDB
Δcliquid -3534.00 kJ/mol NIST
μ 1.90 debye KDB
LFL 2.40 % in Air KDB
UFL 10.50 % in Air KDB
Tflash,cc 302.59 K KDB
Tflash,oc 289.82 K KDB
Δf -236.72 kJ/mol Joback Calculated Property
Δfgas -495.50 kJ/mol KDB
Δfus 10.56 kJ/mol Joback Calculated Property
Δvap 35.90 ± 0.04 kJ/mol NIST
IE 9.97 eV NIST
log10WS [-1.21; -1.21]   Show Hide
log10WS -1.21 Aq. Solubility Prediction
log10WS -1.21 Estimated Solubility
logPoct/wat 1.206 Crippen Calculated Property
McVol 102.840 ml/mol McGowan Calculated Property
NFPA Fire 3 KDB
NFPA Health 1 KDB
Pc [3010.00; 3180.00] kPa Show Hide
Pc 3160.00 kPa KDB
Pc 3010.00 ± 20.00 kPa NIST
Pc 3180.00 ± 60.79 kPa NIST
ρc 281.10 ± 8.13 kg/m3 NIST
Inp [730.00; 788.00]   Show Hide
Inp 757.70 NIST
Inp 758.98 NIST
Inp 757.00 NIST
Inp 755.00 NIST
Inp 757.20 NIST
Inp 750.00 NIST
Inp 768.00 NIST
Inp 758.00 NIST
Inp 750.00 NIST
Inp 762.00 NIST
Inp 764.00 NIST
Inp 763.00 NIST
Inp 764.00 NIST
Inp 763.00 NIST
Inp 758.00 NIST
Inp 760.00 NIST
Inp 764.00 NIST
Inp 750.00 NIST
Inp Outlier 783.00 NIST
Inp Outlier 788.00 NIST
Inp 753.00 NIST
Inp 767.20 NIST
Inp 741.00 NIST
Inp 741.00 NIST
Inp 781.00 NIST
Inp 779.00 NIST
Inp 756.00 NIST
Inp 755.00 NIST
Inp 755.00 NIST
Inp 755.00 NIST
Inp 770.00 NIST
Inp 745.30 NIST
Inp 748.40 NIST
Inp 749.70 NIST
Inp 752.10 NIST
Inp 749.80 NIST
Inp 748.70 NIST
Inp 754.45 NIST
Inp 754.00 NIST
Inp 754.00 NIST
Inp 747.00 NIST
Inp 746.00 NIST
Inp 750.00 NIST
Inp 750.00 NIST
Inp 748.00 NIST
Inp 749.00 NIST
Inp 749.00 NIST
Inp 782.00 NIST
Inp 780.00 NIST
Inp Outlier 786.00 NIST
Inp 763.00 NIST
Inp 776.00 NIST
Inp 768.00 NIST
Inp 771.00 NIST
Inp 757.00 NIST
Inp 766.00 NIST
Inp Outlier 734.00 NIST
Inp 749.00 NIST
Inp 770.00 NIST
Inp 770.00 NIST
Inp 767.00 NIST
Inp 779.50 NIST
Inp 757.00 NIST
Inp 764.00 NIST
Inp 760.00 NIST
Inp 760.00 NIST
Inp 770.00 NIST
Inp 758.00 NIST
Inp 744.00 NIST
Inp 745.00 NIST
Inp 743.00 NIST
Inp 744.00 NIST
Inp 754.00 NIST
Inp 758.00 NIST
Inp 764.00 NIST
Inp 764.00 NIST
Inp 758.00 NIST
Inp Outlier 730.00 NIST
Inp 780.00 NIST
Inp 782.00 NIST
Inp 771.00 NIST
Inp 772.00 NIST
Inp 781.00 NIST
Inp 768.00 NIST
Inp 750.00 NIST
Inp 772.00 NIST
Inp 750.00 NIST
Inp 768.00 NIST
Inp 758.00 NIST
Inp 753.00 NIST
Inp 767.00 NIST
Inp 772.00 NIST
Inp 753.00 NIST
Inp 758.00 NIST
Inp 775.00 NIST
Inp 749.00 NIST
Inp 758.00 NIST
Inp 759.00 NIST
Inp 762.00 NIST
Inp 762.00 NIST
Inp 759.00 NIST
Inp 754.00 NIST
Inp 750.00 NIST
Inp 755.00 NIST
Inp 748.00 NIST
Inp 758.00 NIST
Inp 749.00 NIST
Inp 746.00 NIST
Inp 748.00 NIST
Inp 750.00 NIST
Inp 753.00 NIST
Inp 780.00 NIST
Inp 771.00 NIST
Inp Outlier 730.00 NIST
Inp 781.00 NIST
Inp 768.00 NIST
Inp 753.00 NIST
Inp 759.00 NIST
Inp 750.00 NIST
Inp 746.00 NIST
I [976.00; 1047.00]   Show Hide
I 1025.00 NIST
I 1011.00 NIST
I 1025.00 NIST
I 1013.00 NIST
I 1033.00 NIST
I 1018.00 NIST
I 1020.00 NIST
I 1029.00 NIST
I 1005.00 NIST
I 1017.00 NIST
I 1000.00 NIST
I 1031.00 NIST
I 1029.00 NIST
I 1022.00 NIST
I 1002.00 NIST
I 1007.00 NIST
I 1027.00 NIST
I 989.00 NIST
I 986.00 NIST
I 1014.00 NIST
I 993.00 NIST
I 1012.00 NIST
I 1013.00 NIST
I 1019.00 NIST
I 1011.00 NIST
I 1009.00 NIST
I 1009.00 NIST
I 1012.00 NIST
I 1002.00 NIST
I 1018.00 NIST
I 1016.00 NIST
I 1034.00 NIST
I 1010.00 NIST
I 1012.00 NIST
I 1009.00 NIST
I 1009.00 NIST
I 1035.00 NIST
I 985.00 NIST
I 1015.00 NIST
I 1004.00 NIST
I 1032.00 NIST
I 1008.00 NIST
I 1000.00 NIST
I 1009.00 NIST
I 1000.00 NIST
I 998.00 NIST
I 988.00 NIST
I 988.00 NIST
I 992.00 NIST
I 1005.00 NIST
I 1000.00 NIST
I 1005.00 NIST
I 1014.00 NIST
I 1007.00 NIST
I 1005.00 NIST
I 1005.00 NIST
I 1009.00 NIST
I 1009.00 NIST
I 1017.00 NIST
I 1010.00 NIST
I 1011.00 NIST
I 1014.00 NIST
I 1014.00 NIST
I Outlier 1047.00 NIST
I 1019.00 NIST
I 1020.00 NIST
I 1012.00 NIST
I 1012.00 NIST
I Outlier 976.00 NIST
I 1024.00 NIST
I 985.00 NIST
I 1017.00 NIST
I 1020.00 NIST
I 1020.00 NIST
I 987.00 NIST
I 1020.00 NIST
I 1020.00 NIST
I 1000.00 NIST
I 1020.00 NIST
I 1023.00 NIST
I 1023.00 NIST
I 1023.00 NIST
I Outlier 984.00 NIST
I 1025.00 NIST
Tboil [389.44; 389.90] K Show Hide
Tboil 389.70 K KDB
Tboil 389.44 K Isobaric VLE at 0.6 MPa for binary systems isobutyl acetate + ethanol, + 1-propanol or + 2-propanol
Tboil 389.55 K Vapour-liquid equilibrium measurements and extractive distillation process design for separation of azeotropic mixture (dimethyl carbonate + ethanol)
Tboil 389.90 K Isobaric Vapor Liquid Equilibrium for the Binary and Ternary System with Isobutyl Alcohol, Isobutyl Acetate and Dimethyl Sulfoxide at 101.3 kPa
Tboil 389.75 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 389.55 K Isobaric Vapor-Liquid Equilibrium Measurements for Separation of Azeotrope (Methanol + Methyl Acetate)
Tc [560.80; 569.00] K Show Hide
Tc 561.00 K KDB
Tc 560.80 ± 0.60 K NIST
Tc 561.50 ± 2.00 K NIST
Tc 569.00 ± 5.00 K NIST
Tfus [174.25; 240.15] K Show Hide
Tfus 174.30 K KDB
Tfus 174.25 K Aq. Solubility Prediction
Tfus 176.05 K NIST
Tfus 176.10 ± 0.60 K NIST
Tfus 240.15 ± 0.50 K NIST
Vc 0.414 m3/kmol KDB
Zc 0.2804710 KDB

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [199.90; 255.87] J/mol×K [412.53; 594.22] Show Hide
Cp,gas 199.90 J/mol×K 412.53 Joback Calculated Property
Cp,gas 210.06 J/mol×K 442.81 Joback Calculated Property
Cp,gas 219.89 J/mol×K 473.09 Joback Calculated Property
Cp,gas 229.39 J/mol×K 503.38 Joback Calculated Property
Cp,gas 238.55 J/mol×K 533.66 Joback Calculated Property
Cp,gas 247.38 J/mol×K 563.94 Joback Calculated Property
Cp,gas 255.87 J/mol×K 594.22 Joback Calculated Property
Cp,liquid 240.20 J/mol×K 290.00 NIST
η [0.0002624; 0.0046134] Pa×s [214.54; 412.53] Show Hide
η 0.0046134 Pa×s 214.54 Joback Calculated Property
η 0.0020807 Pa×s 247.54 Joback Calculated Property
η 0.0011317 Pa×s 280.54 Joback Calculated Property
η 0.0006998 Pa×s 313.53 Joback Calculated Property
η 0.0004742 Pa×s 346.53 Joback Calculated Property
η 0.0003438 Pa×s 379.53 Joback Calculated Property
η 0.0002624 Pa×s 412.53 Joback Calculated Property
ΔvapH [39.20; 39.90] kJ/mol [321.50; 359.00] Show Hide
ΔvapH 39.80 kJ/mol 321.50 NIST
ΔvapH 39.90 kJ/mol 349.50 NIST
ΔvapH 39.20 kJ/mol 359.00 NIST
Pvap 101.30 kPa 389.55 Vapour-liquid equilibrium measurements and extractive distillation process design for separation of azeotropic mixture (dimethyl carbonate + ethanol)
n0 [1.38760; 1.39050]   [293.15; 298.20] Show Hide
n0 1.39050 293.15 Isobaric Vapor Liquid Equilibrium for Binary Systems of Thioglycolic Acid with Water, Butyl Acetate, Butyl Formate, and Isobutyl Acetate at 101.3 kPa
n0 1.39020 293.15 Measurement and Correlation of Phase Equilibria for Isobutyl Acetate + {Ethanol or Methanol} + Water at 303.15 and 323.15 K
n0 1.38760 298.15 Isobaric vapor-liquid equilibria for the binary systems isobutyl alcohol + isobutyl acetate and tert-butyl alcohol + tert-butyl acetate at 20 and 101.3 kPa
n0 1.38760 298.15 Phase equilibria in the systems isobutyl alcohol +N,N-dimethylformamide, isobutyl acetate +N,N-dimethylformamide and isobutyl alcohol + isobutyl acetate +N,N-dimethylformamide at 101.3 kPa
n0 1.38760 298.15 Phase equilibria in the ternary system isobutyl alcohol + isobutyl acetate + 1-hexanol and the binary systems isobutyl alcohol + 1-hexanol, isobutyl acetate + 1-hexanol at 101.3 kPa
n0 1.38760 298.15 Vapor liquid equilibria in the ternary system isobutyl alcohol + isobutyl acetate + butyl propionate and the binary systems isobutyl alcohol + butyl propionate, isobutyl acetate + butyl propionate at 101.3 kPa
n0 1.38760 298.15 Liquid liquid equilibria of the systems isobutyl acetate + isobutyl alcohol +water and isobutyl acetate + isobutyl alcohol + glycerol at different temperatures
n0 1.38760 298.15 Study of liquid liquid equilibrium of the systems isobutyl acetate + acetic acid +water and isobutyl alcohol + acetic acid +water at different temperatures
n0 1.38780 298.20 Tie-line data for the aqueous solutions of phenol with organic solvents at T = 298.2 K
ρl [849.39; 875.00] kg/m3 [293.00; 313.20] Show Hide
ρl 875.00 kg/m3 293.00 KDB
ρl 871.30 kg/m3 293.20 Liquid-liquid equilibrium data for ternary systems of water + acetic acid + acetate esters at 293.2 K and 303.2 K and ~ 95 kPa
ρl 849.39 kg/m3 313.20 Liquid-liquid equilibrium data for ternary systems of water + acetic acid + acetate esters at 293.2 K and 303.2 K and ~ 95 kPa
γ [0.02; 0.02] N/m [298.15; 313.15] Show Hide
γ 0.02 N/m 298.15 Excess Molar Volumes and Surface Tensions of 1,2,4-Trimethylbenzene and 1,3,5-Trimethylbenzene with Isopropyl Acetate and Isobutyl Acetate at (298.15, 308.15, and 313.15) K
γ 0.02 N/m 308.15 Excess Molar Volumes and Surface Tensions of 1,2,4-Trimethylbenzene and 1,3,5-Trimethylbenzene with Isopropyl Acetate and Isobutyl Acetate at (298.15, 308.15, and 313.15) K
γ 0.02 N/m 313.15 Excess Molar Volumes and Surface Tensions of 1,2,4-Trimethylbenzene and 1,3,5-Trimethylbenzene with Isopropyl Acetate and Isobutyl Acetate at (298.15, 308.15, and 313.15) K

Pressure Dependent Properties

Property Value Unit Pressure (kPa) Source
Tboil [361.00; 403.64] K [39.99; 150.00] Show Hide
Tboil 361.00 K 39.99 Vapor Liquid Equilibrium for Binary Mixtures of Acetates in the Direct Esterification of Fusel Oil
Tboil 367.41 K 49.98 Vapor Liquid Equilibrium for Binary Mixtures of Acetates in the Direct Esterification of Fusel Oil
Tboil 372.89 K 59.99 Vapor Liquid Equilibrium for Binary Mixtures of Acetates in the Direct Esterification of Fusel Oil
Tboil 377.39 K 70.00 Vapor Liquid Equilibrium for Binary Mixtures of Acetates in the Direct Esterification of Fusel Oil
Tboil 381.58 K 80.00 Vapor Liquid Equilibrium for Binary Mixtures of Acetates in the Direct Esterification of Fusel Oil
Tboil 385.54 K 90.00 Vapor Liquid Equilibrium for Binary Mixtures of Acetates in the Direct Esterification of Fusel Oil
Tboil 389.37 K 100.00 Vapor Liquid Equilibrium for Binary Mixtures of Acetates in the Direct Esterification of Fusel Oil
Tboil 392.35 K 110.00 Vapor Liquid Equilibrium for Binary Mixtures of Acetates in the Direct Esterification of Fusel Oil
Tboil 395.26 K 120.00 Vapor Liquid Equilibrium for Binary Mixtures of Acetates in the Direct Esterification of Fusel Oil
Tboil 398.16 K 130.00 Vapor Liquid Equilibrium for Binary Mixtures of Acetates in the Direct Esterification of Fusel Oil
Tboil 400.84 K 140.00 Vapor Liquid Equilibrium for Binary Mixtures of Acetates in the Direct Esterification of Fusel Oil
Tboil 403.64 K 150.00 Vapor Liquid Equilibrium for Binary Mixtures of Acetates in the Direct Esterification of Fusel Oil

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.63] kPa [287.55; 414.85] The Yaws Handbook of Vapor Pressure Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.50519e+01
Coefficient B-3.64415e+03
Coefficient C-4.07290e+01
Temperature range, min.287.55
Temperature range, max.414.85
Pvap 1.33 kPa 287.55 Calculated Property
Pvap 2.97 kPa 301.69 Calculated Property
Pvap 6.08 kPa 315.84 Calculated Property
Pvap 11.63 kPa 329.98 Calculated Property
Pvap 20.92 kPa 344.13 Calculated Property
Pvap 35.72 kPa 358.27 Calculated Property
Pvap 58.28 kPa 372.42 Calculated Property
Pvap 91.34 kPa 386.56 Calculated Property
Pvap 138.19 kPa 400.71 Calculated Property
Pvap 202.63 kPa 414.85 Calculated Property
Pvap [4.57e-06; 3169.48] kPa [174.30; 561.00] KDB Vapor Pressure Data Show Hide
Equationln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A9.01223e+01
Coefficient B-7.87047e+03
Coefficient C-1.11424e+01
Coefficient D7.93342e-06
Temperature range, min.174.30
Temperature range, max.561.00
Pvap 4.57e-06 kPa 174.30 Calculated Property
Pvap 3.39e-03 kPa 217.27 Calculated Property
Pvap 0.21 kPa 260.23 Calculated Property
Pvap 3.39 kPa 303.20 Calculated Property
Pvap 24.24 kPa 346.17 Calculated Property
Pvap 104.11 kPa 389.13 Calculated Property
Pvap 320.39 kPa 432.10 Calculated Property
Pvap 788.29 kPa 475.07 Calculated Property
Pvap 1665.25 kPa 518.03 Calculated Property
Pvap 3169.48 kPa 561.00 Calculated Property

Similar Compounds

1,3-Propanediol, 2-methyl-, diacetate. Isobutyl iodoacetate. Propanoic acid, 2-methylpropyl ester. Acetic acid, chloro-, isobutyl ester. Acetic acid, bromo-, 2-methylpropyl ester. isobutyl cyanoacetate. Propanoic acid, 2-methyl-, 2-methylpropyl ester. Propanedioic acid, diisobutyl ester. Dichloroacetic acid 2-methylpropyl ester. Acetic acid, dibromo, 2-methylpropyl ester. Trifluoroacetic acid, 2-methylpropyl ester. Acetic acid, tribromo, 2-methylpropyl ester. Pivalic acid, 2-methylpropyl ester. Trichloroacetic acid 2-methylpropyl ester. Propionic acid, 3-iodo-, isobutyl ester.

Find more compounds similar to Isobutyl acetate.

Mixtures

Find more mixtures with Isobutyl acetate.

Sources

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