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-oxopentane
  • 4-Methyl-2-pentanon
  • 4-Methyl-2-pentanone
  • 4-Methyl-pentan-2-on
  • 4-Methylpentan-2-one
  • 4-Metilpentan-2-one
  • 4-methyl-2-pentanone (MIBK; methyl isobutyl ketone)
  • Hexon
  • Hexone
  • Isobutyl methyl ketone
  • Isobutyl-methylketon
  • Isopropylacetone
  • Ketone, isobutyl methyl
  • 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
Sources

Physical Properties

Property Value Unit Source
Δcsolid -3694.60 kJ/mol NIST
Δf -131.72 kJ/mol Joback Calculated Property
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
logPoct/wat 1.62 Crippen Calculated Property
Pc 3390.00 ± 20.00 kPa NIST
Pc 3270.00 ± 5.00 kPa NIST
Pc 3280.00 ± 96.50 kPa NIST
Tboil [386.65; 392.00] K Show Hide
Tboil 390.00 K NIST
Tboil 389.40 ± 0.30 K NIST
Tboil 390.35 ± 0.50 K NIST
Tboil 389.40 K NIST
Tboil 389.20 ± 0.40 K NIST
Tboil 389.00 ± 0.40 K NIST
Tboil 389.45 ± 0.30 K NIST
Tboil 389.10 ± 0.30 K NIST
Tboil 388.43 ± 0.20 K NIST
Tboil 389.00 ± 1.50 K NIST
Tboil 389.35 K NIST
Tboil 390.40 ± 0.50 K NIST
Tboil 388.65 ± 2.00 K NIST
Tboil 387.85 ± 2.00 K NIST
Tboil 389.10 ± 3.00 K NIST
Tboil Outlier 392.00 ± 3.00 K NIST
Tboil 387.65 ± 2.00 K NIST
Tboil 388.15 ± 1.00 K NIST
Tboil 389.05 ± 1.00 K NIST
Tboil 388.15 ± 1.00 K NIST
Tboil 388.25 ± 1.00 K NIST
Tboil 389.70 ± 0.11 K NIST
Tboil 388.95 ± 0.50 K NIST
Tboil 389.35 ± 0.50 K NIST
Tboil 389.06 ± 0.50 K NIST
Tboil 387.15 ± 2.00 K NIST
Tboil 390.90 ± 1.00 K NIST
Tboil Outlier 391.15 ± 1.00 K NIST
Tboil 389.20 ± 1.00 K NIST
Tboil 390.65 ± 2.00 K NIST
Tboil 389.20 ± 0.40 K NIST
Tboil 389.20 ± 0.20 K NIST
Tboil 388.15 ± 2.00 K NIST
Tboil 388.95 ± 1.00 K NIST
Tboil 390.15 ± 2.00 K NIST
Tboil 389.05 ± 0.50 K NIST
Tboil 388.80 ± 1.00 K NIST
Tboil 389.15 ± 1.50 K NIST
Tboil 389.89 ± 0.10 K NIST
Tboil 390.65 ± 0.50 K NIST
Tboil 388.15 ± 0.50 K NIST
Tboil 388.60 ± 1.00 K NIST
Tboil Outlier 386.85 ± 0.50 K NIST
Tboil 389.40 ± 0.50 K NIST
Tboil 388.65 ± 1.00 K NIST
Tboil 390.15 ± 2.00 K NIST
Tboil 389.65 ± 0.50 K NIST
Tboil 387.15 ± 2.00 K NIST
Tboil 389.40 ± 0.50 K NIST
Tboil 388.15 ± 1.00 K NIST
Tboil 389.40 ± 0.20 K NIST
Tboil 387.65 ± 1.00 K NIST
Tboil 390.00 ± 0.20 K NIST
Tboil 388.65 ± 1.00 K NIST
Tboil Outlier 386.65 ± 3.00 K NIST
Tboil 388.65 ± 1.00 K NIST
Tboil 390.15 ± 2.00 K NIST
Tboil 388.00 ± 5.00 K NIST
Tboil 388.15 ± 1.00 K NIST
Tc [571.00; 575.50] K Show Hide
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 189.15 K NIST
Vc 0.37 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [180.50; 187.90] J/mol×K [394.30; 415.75] Show Hide
Plot of Ideal gas heat capacity.
Cp,gas 180.50 ± 0.27 J/mol×K 394.3 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 410.7 NIST
Cp,gas 187.90 ± 0.28 J/mol×K 415.75 NIST
Cp,liquid 211.90 J/mol×K 298.15 NIST
η 0.00 Pa×s 390.11 Joback Calculated Property
ΔvapH [34.49; 42.50] kJ/mol [308.00; 389.40] Show Hide
Plot of Enthalpy of vaporization at a given temperature.
ΔvapH 40.10 ± 0.10 kJ/mol 308.0 NIST
ΔvapH 39.00 ± 0.10 kJ/mol 323.0 NIST
ΔvapH 38.00 ± 0.10 kJ/mol 338.0 NIST
ΔvapH 42.50 kJ/mol 340.5 NIST
ΔvapH 41.20 kJ/mol 342.0 NIST
ΔvapH 37.60 kJ/mol 347.0 NIST
ΔvapH 37.40 ± 0.10 kJ/mol 348.0 NIST
ΔvapH 38.70 kJ/mol 359.0 NIST
ΔvapH 39.20 kJ/mol 362.5 NIST
ΔvapH 37.00 kJ/mol 369.0 NIST
ΔvapH 40.61 kJ/mol 388.9 NIST
ΔvapH 34.49 kJ/mol 389.4 NIST

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-CH2- 1
>C=O (nonring) 1
-CH3 3

Similar Compounds

3-Hexanone, 5-methyl-. 2-Pentanone, 4,4-dimethyl-. 2-Hexanone, 4-methyl-. 2-Pentanone. 4-Heptanone, 2-methyl-. 4-Heptanone, 2,6-dimethyl-. 2-Hexanone, 5-methyl-. 2-Hexanone. 3-Hexanone, 2,5-dimethyl-. Butanal, 3-methyl-. 3-Hexanone. 2-Pentanone, 3-methyl-. 4-Octanone, 2-methyl-. Pentanal, 4-methyl-. (R)-(+)-3-Methylcyclopentanone.

Find more compounds similar to Methyl Isobutyl Ketone.

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