Chemical Properties of Methyl Isobutyl Ketone (CAS 108-10-1)

Methyl Isobutyl Ketone

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InChI
InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3
InChI Key
NTIZESTWPVYFNL-UHFFFAOYSA-N
Formula
C6H12O
SMILES
CC(=O)CC(C)C
Molecular Weight1
100.16
CAS
108-10-1
Other Names
  • 2-Methyl-4-pentanal
  • 2-Methyl-4-pentanone
  • 2-Methylpropyl methyl ketone
  • 2-Pentanone, 4-methyl-
  • 4-METHYL-2-PENTANONE
  • 4-Methyl-2-oxopentane
  • 4-Methyl-2-pentanon
  • 4-Methyl-pentan-2-on
  • 4-Methylpentan-2-one
  • 4-Metilpentan-2-one
  • 4-methyl-2-pentanone (MIBK; methyl isobutyl ketone)
  • HEXONE
  • Hexon
  • Isobutyl methyl ketone
  • Isobutyl-methylketon
  • Isopropylacetone
  • Ketone, isobutyl methyl
  • METHYL-ISO-BUTYL KETONE
  • MIBK
  • MIK
  • Methyl i-butyl ketone
  • Methyl-2-pentanon,4-
  • Methyl-isobutyl-cetone
  • Methylisobutylketon
  • Metilisobutilchetone
  • Metyloizobutyloketon
  • NSC 5712
  • Rcra waste number U161
  • Shell MIBK
  • UN 1245
  • ethyl iso-butyl ketone
  • iso-C4H9COCH3
  • isopropyl acetone
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Physical Properties

Property Value Unit Source
ω 0.3850 KDB
Tig 729.82 K KDB
Δcsolid -3694.60 kJ/mol NIST
μ 2.80 debye KDB
η [0.0005500; 0.0005600] Pa×s Show Hide
η 0.0005500 Pa×s Viscosi...
η 0.0005600 Pa×s Viscosi...
LFL 1.40 % in Air KDB
UFL 7.50 % in Air KDB
Tflash,cc 297.04 K KDB
Tflash,oc 295.93 K KDB
Δf -131.72 kJ/mol Joback Calculated Property
Rg 3.7400 KDB
Δfgas [-291.20; -284.00] kJ/mol Show Hide
Δfgas -284.00 kJ/mol KDB
Δfgas -291.20 ± 1.40 kJ/mol NIST
Δfsolid -381.50 kJ/mol NIST
Δfus 9.37 kJ/mol Joback Calculated Property
Δvap [40.56; 42.50] kJ/mol Show Hide
Δvap 40.65 kJ/mol NIST
Δvap 40.56 kJ/mol NIST
Δvap 42.50 ± 0.10 kJ/mol NIST
Δvap 41.00 kJ/mol NIST
IE [9.30; 9.42] eV Show Hide
IE 9.30 ± 0.01 eV NIST
IE 9.30 ± 0.01 eV NIST
IE Outlier 9.42 eV NIST
IE 9.34 ± 0.01 eV NIST
IE 9.30 ± 0.02 eV NIST
IE 9.30 ± 0.03 eV NIST
log10WS [-0.96; -0.74]   Show Hide
log10WS -0.96 Aq. Sol...
log10WS -0.74 Estimat...
logPoct/wat 1.621 Crippen Calculated Property
McVol 96.970 ml/mol McGowan Calculated Property
NFPA Fire 3 KDB
NFPA Health 2 KDB
Pc [3270.00; 3390.00] kPa Show Hide
Pc 3270.00 kPa KDB
Pc 3390.00 ± 20.00 kPa NIST
Pc 3270.00 ± 5.00 kPa NIST
Pc 3280.00 ± 96.50 kPa NIST
Inp [698.00; 759.00]   Show Hide
Inp 721.20 NIST
Inp 722.94 NIST
Inp 719.78 NIST
Inp 720.12 NIST
Inp 720.65 NIST
Inp 721.70 NIST
Inp 723.00 NIST
Inp 720.00 NIST
Inp 721.00 NIST
Inp 722.00 NIST
Inp 730.00 NIST
Inp 726.00 NIST
Inp 724.00 NIST
Inp 727.00 NIST
Inp 727.00 NIST
Inp Outlier 703.00 NIST
Inp 705.00 NIST
Inp 706.00 NIST
Inp 724.00 NIST
Inp 728.00 NIST
Inp 736.00 NIST
Inp 734.70 NIST
Inp 729.60 NIST
Inp 730.00 NIST
Inp 729.50 NIST
Inp 716.00 NIST
Inp 733.30 NIST
Inp 723.00 NIST
Inp 738.00 NIST
Inp 719.00 NIST
Inp 742.00 NIST
Inp 720.00 NIST
Inp 709.00 NIST
Inp 714.00 NIST
Inp 728.00 NIST
Inp Outlier 753.00 NIST
Inp 721.00 NIST
Inp 739.00 NIST
Inp 739.00 NIST
Inp 723.00 NIST
Inp 741.00 NIST
Inp 732.00 NIST
Inp 735.00 NIST
Inp 725.00 NIST
Inp 730.00 NIST
Inp Outlier 749.00 NIST
Inp Outlier 759.00 NIST
Inp 732.00 NIST
Inp 728.00 NIST
Inp 740.00 NIST
Inp Outlier 698.00 NIST
Inp 721.00 NIST
Inp 730.00 NIST
Inp 730.00 NIST
Inp 722.00 NIST
Inp 713.00 NIST
Inp 733.00 NIST
Inp 720.00 NIST
Inp 725.00 NIST
Inp 720.00 NIST
Inp 715.83 NIST
Inp 726.00 NIST
Inp 721.00 NIST
Inp 723.00 NIST
Inp 726.00 NIST
Inp 720.00 NIST
Inp 720.00 NIST
Inp 723.00 NIST
Inp 724.00 NIST
Inp 740.00 NIST
Inp 720.00 NIST
I [994.00; 1059.00]   Show Hide
I 1039.50 NIST
I 1025.20 NIST
I 1029.00 NIST
I 1033.90 NIST
I 1034.00 NIST
I 1007.00 NIST
I 1015.00 NIST
I 994.00 NIST
I Outlier 1059.00 NIST
I 1010.00 NIST
I Outlier 1059.00 NIST
I 1021.20 NIST
I 1012.00 NIST
I 1009.00 NIST
I 1010.00 NIST
I 1010.00 NIST
I 1010.00 NIST
I 1008.00 NIST
I 999.00 NIST
I 1010.00 NIST
I 1028.00 NIST
I 1013.00 NIST
I 1006.00 NIST
I 1008.00 NIST
I 1013.00 NIST
I 1000.00 NIST
I 1020.00 NIST
I 1000.00 NIST
I 1000.00 NIST
I 1007.00 NIST
I 1000.00 NIST
I 1007.00 NIST
I 1008.00 NIST
I 1008.00 NIST
I 1017.00 NIST
I 1008.00 NIST
I 999.00 NIST
I 1017.00 NIST
I 1025.00 NIST
I 1002.00 NIST
I 1000.00 NIST
I 1012.00 NIST
I 1019.00 NIST
Tboil [387.35; 392.30] K Show Hide
Tboil 389.60 K KDB
Tboil 392.30 K Liquid-...
Tboil 390.50 K Solubil...
Tboil 390.54 K Excess ...
Tboil 389.15 K Vapor-L...
Tboil 389.45 K Measure...
Tboil 387.35 K Conduct...
Tc [571.00; 575.50] K Show Hide
Tc 571.00 K KDB
Tc 575.50 ± 0.50 K NIST
Tc 574.60 ± 0.50 K NIST
Tc 571.00 K NIST
Tc 571.00 ± 1.11 K NIST
Tfus [189.00; 189.15] K Show Hide
Tfus 189.00 K KDB
Tfus 189.15 K NIST
Vc 0.371 m3/kmol Joback Calculated Property
Zra 0.26 KDB

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [180.50; 187.90] J/mol×K [394.30; 415.75] Show Hide
Cp,gas 180.50 ± 0.27 J/mol×K 394.30 NIST
Cp,gas 182.26 ± 0.27 J/mol×K 399.44 NIST
Cp,gas 184.31 ± 0.28 J/mol×K 405.15 NIST
Cp,gas 186.06 ± 0.28 J/mol×K 410.70 NIST
Cp,gas 187.90 ± 0.28 J/mol×K 415.75 NIST
Cp,liquid 211.90 J/mol×K 298.15 NIST
η [0.0002910; 0.0061867] Pa×s [192.31; 390.11] Show Hide
η 0.0061867 Pa×s 192.31 Joback Calculated Property
η 0.0025603 Pa×s 225.28 Joback Calculated Property
η 0.0013273 Pa×s 258.24 Joback Calculated Property
η 0.0007984 Pa×s 291.21 Joback Calculated Property
η 0.0005326 Pa×s 324.18 Joback Calculated Property
η 0.0003828 Pa×s 357.14 Joback Calculated Property
η 0.0002910 Pa×s 390.11 Joback Calculated Property
ΔvapH [34.49; 42.50] kJ/mol [308.00; 389.40] Show Hide
ΔvapH 40.10 ± 0.10 kJ/mol 308.00 NIST
ΔvapH 39.00 ± 0.10 kJ/mol 323.00 NIST
ΔvapH 38.00 ± 0.10 kJ/mol 338.00 NIST
ΔvapH 42.50 kJ/mol 340.50 NIST
ΔvapH 41.20 kJ/mol 342.00 NIST
ΔvapH 37.60 kJ/mol 347.00 NIST
ΔvapH 37.40 ± 0.10 kJ/mol 348.00 NIST
ΔvapH 38.70 kJ/mol 359.00 NIST
ΔvapH 39.20 kJ/mol 362.50 NIST
ΔvapH 37.00 kJ/mol 369.00 NIST
ΔvapH 40.61 kJ/mol 388.90 NIST
ΔvapH 34.49 kJ/mol 389.40 NIST
Pvap [3.89; 114.12] kPa [303.15; 393.15] Show Hide
Pvap 3.89 kPa 303.15 Density...
Pvap 5.88 kPa 313.15 Phase e...
Pvap 9.42 kPa 323.15 Phase e...
Pvap 13.85 kPa 331.98 Phase e...
Pvap 14.56 kPa 333.15 Phase e...
Pvap 19.35 kPa 340.18 Vapor L...
Pvap 19.78 kPa 340.66 Vapor L...
Pvap 20.72 kPa 341.81 Phase e...
Pvap 21.82 kPa 343.15 Phase e...
Pvap 21.92 kPa 343.42 Vapor L...
Pvap 30.01 kPa 351.55 Vapor L...
Pvap 30.29 kPa 351.81 Phase e...
Pvap 31.12 kPa 352.71 Vapor L...
Pvap 31.71 kPa 353.11 Vapor L...
Pvap 31.80 kPa 353.15 Phase e...
Pvap 39.35 kPa 359.22 Vapor L...
Pvap 39.63 kPa 359.39 Vapor L...
Pvap 40.05 kPa 359.58 Vapor L...
Pvap 43.51 kPa 362.04 Phase e...
Pvap 44.70 kPa 362.88 Vapor L...
Pvap 45.19 kPa 363.15 Phase e...
Pvap 49.68 kPa 365.90 Vapor L...
Pvap 50.66 kPa 366.61 Vapor L...
Pvap 53.01 kPa 368.06 Vapor L...
Pvap 53.42 kPa 368.07 Vapor L...
Pvap 53.26 kPa 368.14 Vapor L...
Pvap 53.24 kPa 368.15 Vapor L...
Pvap 54.29 kPa 368.70 Vapor L...
Pvap 59.43 kPa 371.34 Vapor L...
Pvap 59.75 kPa 371.64 Vapor L...
Pvap 60.19 kPa 371.91 Vapor L...
Pvap 60.56 kPa 372.03 Phase e...
Pvap 62.78 kPa 373.15 Phase e...
Pvap 65.18 kPa 374.37 Vapor L...
Pvap 69.16 kPa 376.26 Vapor L...
Pvap 69.98 kPa 376.49 Vapor L...
Pvap 74.83 kPa 378.80 Vapor L...
Pvap 79.56 kPa 380.65 Vapor L...
Pvap 80.16 kPa 381.06 Vapor L...
Pvap 82.62 kPa 382.04 Phase e...
Pvap 84.16 kPa 382.66 Vapor L...
Pvap 85.44 kPa 383.15 Phase e...
Pvap 90.58 kPa 384.99 Vapor L...
Pvap 98.70 kPa 388.07 Vapor L...
Pvap 99.40 kPa 388.31 Vapor L...
Pvap 100.35 kPa 388.63 Vapor L...
Pvap 100.41 kPa 388.65 Vapor L...
Pvap 101.85 kPa 389.06 Vapor L...
Pvap 101.30 kPa 389.15 Vapor-L...
Pvap 102.78 kPa 389.49 Vapor L...
Pvap 110.74 kPa 392.07 Phase e...
Pvap 114.12 kPa 393.15 Phase e...
n0 [1.39327; 1.39586]   [293.15; 298.15] Show Hide
n0 1.39586 293.15 Vapor L...
n0 1.39355 298.15 Isobari...
n0 1.39360 298.15 Bubble ...
n0 1.39350 298.15 Excess ...
n0 1.39327 298.15 Ternary...
n0 1.39420 298.15 Isobari...
n0 1.39360 298.15 Liquid-...
ρl [773.00; 805.12] kg/m3 [288.15; 323.15] Show Hide
ρl 805.12 kg/m3 288.15 Thermal...
ρl 801.00 kg/m3 293.00 KDB
ρl 800.80 kg/m3 293.15 Evaluat...
ρl 800.90 kg/m3 293.15 Effect ...
ρl 800.00 kg/m3 293.15 Thermop...
ρl 801.00 kg/m3 293.15 Thermop...
ρl 799.61 kg/m3 293.20 Liquid-...
ρl 799.00 kg/m3 298.15 Liquid ...
ρl 798.09 kg/m3 298.15 Evaluat...
ρl 800.59 kg/m3 298.15 Liquid-...
ρl 795.98 kg/m3 298.15 Thermal...
ρl 795.94 kg/m3 298.15 Liquid ...
ρl 796.23 kg/m3 298.15 Liquid-...
ρl 796.19 kg/m3 298.15 Excess ...
ρl 799.80 kg/m3 298.15 Liquid ...
ρl 796.50 kg/m3 298.15 Isother...
ρl 796.03 kg/m3 298.15 Evaluat...
ρl 796.10 kg/m3 298.15 Evaluat...
ρl 792.00 kg/m3 303.15 Thermop...
ρl 791.25 kg/m3 303.15 Excess ...
ρl 791.60 kg/m3 303.15 Evaluat...
ρl 796.33 kg/m3 303.15 Excess ...
ρl 786.75 kg/m3 308.15 Thermal...
ρl 786.90 kg/m3 308.15 Evaluat...
ρl 782.30 kg/m3 313.15 Evaluat...
ρl 782.00 kg/m3 313.15 Thermop...
ρl 781.11 kg/m3 313.20 Liquid-...
ρl 777.60 kg/m3 318.15 Evaluat...
ρl 777.46 kg/m3 318.15 Thermal...
ρl 773.00 kg/m3 323.15 Evaluat...
csound,fluid [1138.00; 1175.00] m/s [303.15; 313.15] Show Hide
csound,fluid 1175.00 m/s 303.15 Densiti...
csound,fluid 1156.00 m/s 308.15 Densiti...
csound,fluid 1138.00 m/s 313.15 Densiti...

Datasets

Viscosity, Pa*s

Fixed Measured
Temperature, K - Liquid Pressure, kPa - Liquid Viscosity, Pa*s - Liquid
308.15 101.30 0.0005
Reference

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.63] kPa [288.82; 413.37] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.49712e+01
Coefficient B-3.51652e+03
Coefficient C-4.93340e+01
Temperature range, min.288.82
Temperature range, max.413.37
Pvap 1.33 kPa 288.82 Calculated Property
Pvap 2.97 kPa 302.66 Calculated Property
Pvap 6.10 kPa 316.50 Calculated Property
Pvap 11.67 kPa 330.34 Calculated Property
Pvap 21.00 kPa 344.18 Calculated Property
Pvap 35.84 kPa 358.01 Calculated Property
Pvap 58.43 kPa 371.85 Calculated Property
Pvap 91.52 kPa 385.69 Calculated Property
Pvap 138.33 kPa 399.53 Calculated Property
Pvap 202.63 kPa 413.37 Calculated Property
Pvap [2.17; 100.82] kPa [295.15; 389.15] KDB Vap... Show Hide
Equationln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A1.58031e+02
Coefficient B-1.05457e+04
Coefficient C-2.16516e+01
Coefficient D1.85635e-05
Temperature range, min.295.15
Temperature range, max.389.15
Pvap 2.17 kPa 295.15 Calculated Property
Pvap 3.89 kPa 305.59 Calculated Property
Pvap 6.64 kPa 316.04 Calculated Property
Pvap 10.82 kPa 326.48 Calculated Property
Pvap 16.93 kPa 336.93 Calculated Property
Pvap 25.58 kPa 347.37 Calculated Property
Pvap 37.46 kPa 357.82 Calculated Property
Pvap 53.36 kPa 368.26 Calculated Property
Pvap 74.15 kPa 378.71 Calculated Property
Pvap 100.82 kPa 389.15 Calculated Property

Similar Compounds

2-Pentanone, 4-methyl-1,1,1,3,3-d5-. 4-Heptanone, 2,6-dimethyl-. 3-Hexanone, 5-methyl-. 4-Heptanone, 2-methyl-. Neopentyl isobutyl ketone. 2,4-Heptanedione, 6-methyl-. 4-Octanone, 2-methyl-. 2-Pentanone, 1-chloro-4-methyl. 2-Hexanone, 4-methyl-. 2-Methyltridecan-4-one. 2-Methyl-4-decanone. 2-Methyltetradecan-4-one. 3-Hexanone, 2,5-dimethyl-. 2-Heptanone, 4-methyl-. 2-Heptanone, 4,6-dimethyl-.

Find more compounds similar to Methyl Isobutyl Ketone.

Mixtures

Find more mixtures with Methyl Isobutyl Ketone.

Sources

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