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

Isobutyl acetate

PDF Excel Molecule Calculator
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
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

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. Sol...
log10WS -1.21 Estimat...
logPoct/wat 1.205 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 Isobari...
Tboil 389.55 K Vapour-...
Tboil 389.90 K Isobari...
Tboil 389.75 K Measure...
Tboil 389.55 K Isobari...
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. Sol...
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-...
n0 [1.38760; 1.39050]   [293.15; 298.20] Show Hide
n0 1.39050 293.15 Isobari...
n0 1.39020 293.15 Measure...
n0 1.38760 298.15 Isobari...
n0 1.38760 298.15 Vapor l...
n0 1.38760 298.15 Liquid ...
n0 1.38760 298.15 Study o...
n0 1.38760 298.15 Phase e...
n0 1.38760 298.15 Phase e...
n0 1.38780 298.20 Tie-lin...
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-...
ρl 849.39 kg/m3 313.20 Liquid-...
γ [0.02; 0.02] N/m [298.15; 313.15] Show Hide
γ 0.02 N/m 298.15 Excess ...
γ 0.02 N/m 308.15 Excess ...
γ 0.02 N/m 313.15 Excess ...

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 L...
Tboil 367.41 K 49.98 Vapor L...
Tboil 372.89 K 59.99 Vapor L...
Tboil 377.39 K 70.00 Vapor L...
Tboil 381.58 K 80.00 Vapor L...
Tboil 385.54 K 90.00 Vapor L...
Tboil 389.37 K 100.00 Vapor L...
Tboil 392.35 K 110.00 Vapor L...
Tboil 395.26 K 120.00 Vapor L...
Tboil 398.16 K 130.00 Vapor L...
Tboil 400.84 K 140.00 Vapor L...
Tboil 403.64 K 150.00 Vapor L...

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.63] kPa [287.55; 414.85] The Yaw... 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 Vap... 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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.