Chemical Properties of 2-Hexanone (CAS 591-78-6)

2-Hexanone

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InChI
InChI=1S/C6H12O/c1-3-4-5-6(2)7/h3-5H2,1-2H3
InChI Key
QQZOPKMRPOGIEB-UHFFFAOYSA-N
Formula
C6H12O
SMILES
CCCCC(C)=O
Molecular Weight1
100.16
CAS
591-78-6
Other Names
  • 2-Oxohexane
  • Butyl methyl ketone
  • Hexan-2-one
  • Hexanone-2
  • Ketone, butyl methyl
  • MBK
  • MNBK
  • Methyl butyl ketone
  • Methyl n-butyl ketone
  • Propylacetone
  • n-Butyl methyl ketone
  • n-C4H9COCH3

Physical Properties

Property Value Unit Source
ω 0.3920 KDB
Δcliquid -3754.02 ± 0.96 kJ/mol NIST
Δf -129.28 kJ/mol Joback Calculated Property
Δfgas -279.80 ± 1.10 kJ/mol NIST
Δfliquid -322.00 ± 1.00 kJ/mol NIST
Δfus 12.89 kJ/mol Joback Calculated Property
Δvap [42.20; 43.15] kJ/mol Show Hide
Δvap 43.15 kJ/mol NIST
Δvap 43.10 ± 0.10 kJ/mol NIST
Δvap 43.03 kJ/mol NIST
Δvap 43.10 ± 0.10 kJ/mol NIST
Δvap 43.00 ± 0.30 kJ/mol NIST
Δvap 42.90 kJ/mol NIST
Δvap 42.22 ± 0.08 kJ/mol NIST
Δvap 42.20 ± 0.10 kJ/mol NIST
IE [9.20; 9.44] eV Show Hide
IE 9.35 ± 0.06 eV NIST
IE 9.24 ± 0.02 eV NIST
IE 9.33 ± 0.01 eV NIST
IE 9.20 eV NIST
IE 9.36 ± 0.02 eV NIST
IE 9.37 ± 0.02 eV NIST
IE 9.34 ± 0.03 eV NIST
IE 9.44 ± 0.03 eV NIST
IE 9.38 eV NIST
log10WS [-0.80; -0.80]   Show Hide
log10WS -0.80 Aq. Sol...
log10WS -0.80 Estimat...
logPoct/wat 1.766 Crippen Calculated Property
McVol 96.970 ml/mol McGowan Calculated Property
NFPA Fire 3 KDB
NFPA Health 2 KDB
Pc [3320.00; 3320.00] kPa Show Hide
Pc 3320.00 kPa KDB
Pc 3320.00 ± 80.00 kPa NIST
ρc 267.42 ± 3.00 kg/m3 NIST
Inp [726.00; 807.00]   Show Hide
Inp 767.90 NIST
Inp 767.07 NIST
Inp 766.66 NIST
Inp 765.86 NIST
Inp 766.82 NIST
Inp 767.68 NIST
Inp 768.37 NIST
Inp 768.70 NIST
Inp 769.32 NIST
Inp 769.68 NIST
Inp 771.05 NIST
Inp 772.24 NIST
Inp 774.21 NIST
Inp 788.05 NIST
Inp 787.01 NIST
Inp 787.84 NIST
Inp 789.11 NIST
Inp 789.29 NIST
Inp 789.92 NIST
Inp 790.50 NIST
Inp 791.67 NIST
Inp 792.39 NIST
Inp 793.70 NIST
Inp 795.42 NIST
Inp 797.53 NIST
Inp 769.69 NIST
Inp 770.63 NIST
Inp 770.60 NIST
Inp 767.41 NIST
Inp 765.83 NIST
Inp 790.62 NIST
Inp 791.12 NIST
Inp 791.21 NIST
Inp 790.92 NIST
Inp 792.67 NIST
Inp 769.00 NIST
Inp 766.90 NIST
Inp 766.80 NIST
Inp 766.97 NIST
Inp 767.10 NIST
Inp 767.30 NIST
Inp 768.04 NIST
Inp 767.70 NIST
Inp 769.00 NIST
Inp 767.00 NIST
Inp 767.00 NIST
Inp 768.00 NIST
Inp 775.00 NIST
Inp 777.00 NIST
Inp 774.00 NIST
Inp 774.00 NIST
Inp 766.60 NIST
Inp 772.00 NIST
Inp Outlier 731.40 NIST
Inp 791.30 NIST
Inp 792.30 NIST
Inp 794.30 NIST
Inp 770.00 NIST
Inp Outlier 742.00 NIST
Inp 773.00 NIST
Inp 751.00 NIST
Inp 759.00 NIST
Inp 747.00 NIST
Inp 763.00 NIST
Inp 764.00 NIST
Inp 764.00 NIST
Inp Outlier 738.00 NIST
Inp Outlier 728.00 NIST
Inp Outlier 736.00 NIST
Inp 778.00 NIST
Inp 745.60 NIST
Inp Outlier 726.00 NIST
Inp Outlier 727.00 NIST
Inp 745.00 NIST
Inp 752.00 NIST
Inp 747.00 NIST
Inp 752.00 NIST
Inp 772.00 NIST
Inp 761.00 NIST
Inp 770.00 NIST
Inp 770.00 NIST
Inp 771.00 NIST
Inp 788.00 NIST
Inp 768.00 NIST
Inp 775.00 NIST
Inp 790.00 NIST
Inp 788.00 NIST
Inp 802.00 NIST
Inp 789.00 NIST
Inp 760.60 NIST
Inp 787.50 NIST
Inp 802.00 NIST
Inp 801.00 NIST
Inp 771.00 NIST
Inp 792.00 NIST
Inp 792.00 NIST
Inp 793.00 NIST
Inp 798.00 NIST
Inp 792.00 NIST
Inp 793.00 NIST
Inp 770.00 NIST
Inp 760.00 NIST
Inp 792.00 NIST
Inp 793.00 NIST
Inp 789.00 NIST
Inp 763.00 NIST
Inp 792.00 NIST
Inp 747.00 NIST
Inp 753.00 NIST
Inp 755.00 NIST
Inp 792.00 NIST
Inp 803.00 NIST
Inp 750.00 NIST
Inp 789.00 NIST
Inp 807.00 NIST
Inp 769.00 NIST
Inp 768.00 NIST
Inp 769.00 NIST
Inp 769.00 NIST
Inp 771.00 NIST
Inp 771.00 NIST
Inp 768.00 NIST
Inp 768.00 NIST
Inp 767.00 NIST
Inp 758.00 NIST
Inp 786.00 NIST
Inp 789.00 NIST
Inp 791.00 NIST
Inp 768.00 NIST
Inp 789.00 NIST
Inp 792.00 NIST
Inp 792.00 NIST
Inp 790.00 NIST
Inp 787.00 NIST
Inp 788.00 NIST
Inp 790.00 NIST
Inp 786.00 NIST
Inp 786.00 NIST
Inp 789.00 NIST
Inp 789.00 NIST
Inp 761.00 NIST
Inp 800.00 NIST
Inp 770.00 NIST
Inp 761.00 NIST
Inp 765.00 NIST
Inp 792.00 NIST
Inp 793.00 NIST
Inp 759.00 NIST
Inp 761.00 NIST
Inp 761.00 NIST
Inp 761.00 NIST
Inp 790.00 NIST
Inp 792.00 NIST
Inp 793.00 NIST
Inp 747.00 NIST
Inp 772.00 NIST
Inp 775.00 NIST
Inp 767.00 NIST
Inp 760.00 NIST
Inp 779.00 NIST
Inp 797.00 NIST
Inp 791.00 NIST
Inp 778.00 NIST
Inp 747.00 NIST
Inp 768.00 NIST
Inp 795.00 NIST
Inp 791.00 NIST
Inp 788.00 NIST
Inp 769.00 NIST
Inp 756.00 NIST
Inp 782.00 NIST
Inp 791.00 NIST
Inp 791.00 NIST
Inp 767.00 NIST
Inp 772.00 NIST
Inp 786.00 NIST
Inp 790.00 NIST
Inp 767.00 NIST
Inp 788.00 NIST
Inp 787.00 NIST
Inp 806.00 NIST
Inp 768.00 NIST
Inp 771.00 NIST
Inp 768.00 NIST
Inp 768.00 NIST
Inp 768.00 NIST
Inp 771.00 NIST
Inp 787.00 NIST
Inp 769.00 NIST
Inp 769.00 NIST
Inp 787.00 NIST
Inp 786.00 NIST
Inp 792.00 NIST
Inp 790.00 NIST
Inp 761.00 NIST
Inp 772.00 NIST
Inp 788.00 NIST
Inp 769.00 NIST
Inp 771.00 NIST
I [1060.00; 1124.00]   Show Hide
I 1098.02 NIST
I Outlier 1116.32 NIST
I 1113.00 NIST
I 1097.20 NIST
I 1102.20 NIST
I 1107.60 NIST
I 1082.00 NIST
I 1079.00 NIST
I 1074.00 NIST
I 1077.00 NIST
I Outlier 1060.00 NIST
I Outlier 1124.00 NIST
I 1083.00 NIST
I 1083.00 NIST
I 1083.00 NIST
I 1094.00 NIST
I 1083.00 NIST
I 1084.00 NIST
I 1082.00 NIST
I 1089.00 NIST
I 1081.00 NIST
I 1089.00 NIST
I 1082.00 NIST
I 1092.00 NIST
I 1095.00 NIST
I 1078.00 NIST
I 1083.00 NIST
I 1102.00 NIST
I 1112.00 NIST
I 1100.00 NIST
I 1069.00 NIST
I 1075.00 NIST
I 1083.00 NIST
I 1074.00 NIST
I 1077.00 NIST
I 1100.00 NIST
I 1077.00 NIST
I 1088.00 NIST
I 1107.00 NIST
I 1068.00 NIST
I 1078.00 NIST
I 1070.00 NIST
I 1095.00 NIST
I 1100.00 NIST
I 1076.00 NIST
I 1080.00 NIST
I 1087.00 NIST
I 1097.00 NIST
I 1070.00 NIST
I 1090.00 NIST
I 1078.00 NIST
I 1070.00 NIST
I 1098.02 NIST
I 1107.60 NIST
liquid 308.10 J/mol×K NIST
Tboil [397.15; 422.90] K Show Hide
Tboil 400.69 K Isobari...
Tboil 400.69 ± 0.05 K Isobari...
Tboil 400.69 K Isobari...
Tboil 400.70 K KDB
Tboil 401.20 K NIST
Tboil 400.70 K NIST
Tboil 400.30 ± 0.50 K NIST
Tboil 397.15 ± 3.00 K NIST
Tboil 400.15 ± 3.00 K NIST
Tboil 401.15 ± 1.00 K NIST
Tboil 400.95 ± 0.50 K NIST
Tboil 399.00 ± 4.00 K NIST
Tboil 400.75 ± 0.50 K NIST
Tboil 400.35 ± 0.50 K NIST
Tboil 400.95 ± 1.00 K NIST
Tboil 399.65 ± 1.50 K NIST
Tboil 399.15 ± 2.00 K NIST
Tboil 402.15 ± 2.00 K NIST
Tboil 401.15 ± 5.00 K NIST
Tboil 397.65 ± 5.00 K NIST
Tboil 400.15 ± 2.00 K NIST
Tboil 400.70 ± 0.50 K NIST
Tboil 401.15 ± 5.00 K NIST
Tboil 400.30 ± 0.30 K NIST
Tboil 400.15 ± 2.00 K NIST
Tboil 398.65 ± 2.00 K NIST
Tboil 398.65 ± 3.00 K NIST
Tboil 399.55 ± 2.00 K NIST
Tboil 400.15 ± 2.00 K NIST
Tboil 399.65 ± 2.00 K NIST
Tboil 400.45 ± 2.00 K NIST
Tboil 401.65 ± 1.00 K NIST
Tboil 400.35 ± 0.50 K NIST
Tboil 400.35 ± 0.30 K NIST
Tboil 399.40 ± 1.00 K NIST
Tboil 400.15 ± 1.00 K NIST
Tboil Outlier 422.90 ± 10.00 K NIST
Tboil 400.15 ± 1.00 K NIST
Tboil 400.52 ± 0.50 K NIST
Tboil 400.15 ± 1.00 K NIST
Tc [586.60; 587.00] K Show Hide
Tc 587.00 K KDB
Tc 586.60 ± 0.40 K NIST
Tc 587.00 K NIST
Tc 587.00 ± 0.50 K NIST
Tfus [216.25; 217.60] K Show Hide
Tfus 217.03 K Aq. Sol...
Tfus 217.60 K KDB
Tfus 216.25 ± 0.30 K NIST
Ttriple [217.69; 218.42] K Show Hide
Ttriple 218.42 K Thermod...
Ttriple 217.69 ± 0.05 K NIST
Vc 0.378 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [177.72; 232.63] J/mol×K [390.55; 568.08] Show Hide
Cp,gas 177.72 J/mol×K 390.55 Joback Calculated Property
Cp,gas 187.80 J/mol×K 420.14 Joback Calculated Property
Cp,gas 197.51 J/mol×K 449.73 Joback Calculated Property
Cp,gas 206.83 J/mol×K 479.31 Joback Calculated Property
Cp,gas 215.79 J/mol×K 508.90 Joback Calculated Property
Cp,gas 224.39 J/mol×K 538.49 Joback Calculated Property
Cp,gas 232.63 J/mol×K 568.08 Joback Calculated Property
Cp,liquid [213.30; 213.40] J/mol×K [298.15; 298.15] Show Hide
Cp,liquid 213.40 J/mol×K 298.15 NIST
Cp,liquid 213.30 J/mol×K 298.15 NIST
η [0.0003010; 0.0038104] Pa×s [207.31; 390.55] Show Hide
η 0.0038104 Pa×s 207.31 Joback Calculated Property
η 0.0019023 Pa×s 237.85 Joback Calculated Property
η 0.0011124 Pa×s 268.39 Joback Calculated Property
η 0.0007258 Pa×s 298.93 Joback Calculated Property
η 0.0005126 Pa×s 329.47 Joback Calculated Property
η 0.0003840 Pa×s 360.01 Joback Calculated Property
η 0.0003010 Pa×s 390.55 Joback Calculated Property
ΔfusH [14.90; 14.90] kJ/mol [217.69; 217.70] Show Hide
ΔfusH 14.90 kJ/mol 217.69 NIST
ΔfusH 14.90 kJ/mol 217.70 NIST
ΔfusH 14.90 kJ/mol 217.70 NIST
ΔvapH [36.10; 53.80] kJ/mol [308.00; 550.00] Show Hide
ΔvapH 42.50 ± 0.10 kJ/mol 308.00 NIST
ΔvapH 41.60 ± 0.10 kJ/mol 323.00 NIST
ΔvapH 40.70 ± 0.10 kJ/mol 338.00 NIST
ΔvapH 53.80 kJ/mol 340.00 NIST
ΔvapH 40.10 ± 0.10 kJ/mol 348.00 NIST
ΔvapH 43.80 kJ/mol 351.00 NIST
ΔvapH 40.80 kJ/mol 352.00 NIST
ΔvapH 39.50 ± 0.10 kJ/mol 358.00 NIST
ΔvapH 41.50 kJ/mol 368.50 NIST
ΔvapH 39.00 kJ/mol 380.00 NIST
ΔvapH 36.35 kJ/mol 400.70 NIST
ΔvapH 43.10 kJ/mol 400.70 NIST
ΔvapH 36.70 kJ/mol 472.00 NIST
ΔvapH 36.10 kJ/mol 550.00 NIST
Pvap [26.66; 101.32] kPa [359.51; 400.69] Show Hide
Pvap 26.66 kPa 359.51 Isobari...
Pvap 26.66 kPa 359.51 Isobari...
Pvap 43.80 kPa 373.15 Thermod...
Pvap 53.33 kPa 379.52 Isobari...
Pvap 53.33 kPa 379.52 Isobari...
Pvap 79.99 kPa 392.57 Isobari...
Pvap 79.99 kPa 392.57 Isobari...
Pvap 101.32 kPa 400.69 Isobari...
Pvap 101.32 kPa 400.69 Isobari...
n0 [1.40065; 1.40080]   [293.13; 293.20] Show Hide
n0 1.40080 293.13 Isobari...
n0 1.40080 293.15 Isobari...
n0 1.40080 293.15 Isobari...
n0 1.40065 ± 0.00020 293.20 Ternary...
ρl [788.45; 816.00] kg/m3 [288.00; 318.15] Show Hide
ρl 816.00 kg/m3 288.00 KDB
ρl 815.72 kg/m3 288.15 Thermal...
ρl 811.20 kg/m3 293.13 Isobari...
ρl 811.20 kg/m3 293.15 Isobari...
ρl 811.20 kg/m3 293.15 Isobari...
ρl 811.00 ± 1.00 kg/m3 293.20 Ternary...
ρl 806.70 kg/m3 298.15 Thermal...
ρl 806.37 kg/m3 298.20 Liquid-...
ρl 797.60 kg/m3 308.15 Thermal...
ρl 788.45 kg/m3 318.15 Thermal...
ΔfusS [68.42; 68.44] J/mol×K [217.69; 217.70] Show Hide
ΔfusS 68.44 J/mol×K 217.69 NIST
ΔfusS 68.42 J/mol×K 217.70 NIST

Pressure Dependent Properties

Property Value Unit Pressure (kPa) Source
Tfus 215.57 K 100.00 Thermod...

Similar Compounds

2-Hexanone, 1,1,1,3,3-d5-. 2-Heptanone. Methyl n-hexadecyl ketone. 2-Decanone. 2-Octanone. 2-Heneicosanone. 2-Dodecanone. 2-Hexadecanone. 2-Tridecanone. 2-Nonanone. 2-Tetradecanone. 2-Eicosanone. 2-Pentadecanone. Tridecanone-. Undecanone.

Find more compounds similar to 2-Hexanone.

Mixtures

Sources

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