Chemical Properties of 2-Hexanone, 5-methyl- (CAS 110-12-3)

2-Hexanone, 5-methyl-

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InChI
InChI=1S/C7H14O/c1-6(2)4-5-7(3)8/h6H,4-5H2,1-3H3
InChI Key
FFWSICBKRCICMR-UHFFFAOYSA-N
Formula
C7H14O
SMILES
CC(=O)CCC(C)C
Molecular Weight1
114.19
CAS
110-12-3
Other Names
  • (CH3)2CHCH2CH2COCH3
  • 2-Methyl-5-Hexanone
  • 3-Methylbutyl methyl ketone
  • 5-Methyl-2-hexanone
  • 5-Methylhexan-2-one
  • ISOAMYL METHYL KETONE
  • ISOPENTYL METHYL KETONE
  • Ketone, methyl isoamyl
  • MIAK
  • Methyl isoamyl ketone
  • Methyl isopentyl ketone
  • UN 2302
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Physical Properties

Property Value Unit Source
Δf -123.30 kJ/mol Joback Calculated Property
Δfgas -305.67 kJ/mol Joback Calculated Property
Δfus 11.96 kJ/mol Joback Calculated Property
Δvap 37.53 kJ/mol Joback Calculated Property
IE 9.28 ± 0.01 eV NIST
log10WS -1.33 Aq. Sol...
logPoct/wat 2.012 Crippen Calculated Property
McVol 111.060 ml/mol McGowan Calculated Property
NFPA Fire 2 KDB
NFPA Health 1 KDB
Pc 3022.28 kPa Joback Calculated Property
Inp [819.00; 865.00]   Show Hide
Inp 836.50 NIST
Inp 838.00 NIST
Inp 835.00 NIST
Inp 836.00 NIST
Inp 837.00 NIST
Inp 836.00 NIST
Inp 819.00 NIST
Inp 857.00 NIST
Inp 825.00 NIST
Inp 830.90 NIST
Inp Outlier 862.00 NIST
Inp Outlier 862.00 NIST
Inp 835.00 NIST
Inp 832.00 NIST
Inp 825.00 NIST
Inp 832.00 NIST
Inp 832.00 NIST
Inp 832.00 NIST
Inp 835.00 NIST
Inp Outlier 865.00 NIST
Inp 831.00 NIST
Inp 836.00 NIST
Inp 839.00 NIST
Inp 835.00 NIST
Inp 825.00 NIST
Inp 835.00 NIST
Inp 836.00 NIST
Inp 828.00 NIST
Inp 831.00 NIST
Inp 835.00 NIST
Inp 832.00 NIST
Inp 857.00 NIST
I [1140.00; 1190.00]   Show Hide
I 1172.10 NIST
I 1156.10 NIST
I 1160.90 NIST
I 1166.30 NIST
I 1150.00 NIST
I 1142.00 NIST
I 1168.00 NIST
I 1190.00 NIST
I 1155.00 NIST
I 1154.00 NIST
I 1186.00 NIST
I 1141.00 NIST
I 1146.00 NIST
I 1154.00 NIST
I 1140.00 NIST
I 1188.00 NIST
I 1156.00 NIST
Tboil [407.65; 418.05] K Show Hide
Tboil 417.20 K NIST
Tboil 418.05 K NIST
Tboil 417.35 ± 1.00 K NIST
Tboil 409.05 ± 1.00 K NIST
Tboil 417.40 ± 0.50 K NIST
Tboil 408.15 ± 2.00 K NIST
Tboil 417.00 ± 3.00 K NIST
Tboil 416.45 ± 1.00 K NIST
Tboil 417.15 ± 2.00 K NIST
Tboil 417.15 ± 2.00 K NIST
Tboil 410.15 ± 2.00 K NIST
Tboil 407.65 ± 2.00 K NIST
Tboil 416.15 ± 2.00 K NIST
Tboil 416.00 ± 5.00 K NIST
Tc 593.63 K Joback Calculated Property
Tfus [199.25; 199.30] K Show Hide
Tfus 199.25 K NIST
Tfus 199.30 ± 0.60 K NIST
Vc 0.427 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [215.47; 278.88] J/mol×K [412.99; 593.63] Show Hide
Cp,gas 215.47 J/mol×K 412.99 Joback Calculated Property
Cp,gas 227.17 J/mol×K 443.10 Joback Calculated Property
Cp,gas 238.41 J/mol×K 473.20 Joback Calculated Property
Cp,gas 249.19 J/mol×K 503.31 Joback Calculated Property
Cp,gas 259.52 J/mol×K 533.42 Joback Calculated Property
Cp,gas 269.42 J/mol×K 563.52 Joback Calculated Property
Cp,gas 278.88 J/mol×K 593.63 Joback Calculated Property
η [0.0002897; 0.0065747] Pa×s [203.58; 412.99] Show Hide
η 0.0065747 Pa×s 203.58 Joback Calculated Property
η 0.0026700 Pa×s 238.48 Joback Calculated Property
η 0.0013648 Pa×s 273.38 Joback Calculated Property
η 0.0008121 Pa×s 308.28 Joback Calculated Property
η 0.0005371 Pa×s 343.19 Joback Calculated Property
η 0.0003833 Pa×s 378.09 Joback Calculated Property
η 0.0002897 Pa×s 412.99 Joback Calculated Property
n0 [1.40510; 1.40740]   [293.15; 293.20] Show Hide
n0 1.40740 293.15 (Liquid...
n0 1.40510 293.20 Experim...
ρl 887.90 kg/m3 293.20 Experim...

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.67] kPa [311.86; 439.81] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.53053e+01
Coefficient B-3.82231e+03
Coefficient C-5.73400e+01
Temperature range, min.311.86
Temperature range, max.439.81
Pvap 1.33 kPa 311.86 Calculated Property
Pvap 2.95 kPa 326.08 Calculated Property
Pvap 6.03 kPa 340.29 Calculated Property
Pvap 11.51 kPa 354.51 Calculated Property
Pvap 20.70 kPa 368.73 Calculated Property
Pvap 35.38 kPa 382.94 Calculated Property
Pvap 57.82 kPa 397.16 Calculated Property
Pvap 90.83 kPa 411.38 Calculated Property
Pvap 137.79 kPa 425.59 Calculated Property
Pvap 202.67 kPa 439.81 Calculated Property
Pvap [2.42e-05; 2974.72] kPa [199.25; 601.00] KDB Vap... Show Hide
Equationln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A1.08727e+02
Coefficient B-9.25172e+03
Coefficient C-1.38402e+01
Coefficient D8.92111e-06
Temperature range, min.199.25
Temperature range, max.601.00
Pvap 2.42e-05 kPa 199.25 Calculated Property
Pvap 8.64e-03 kPa 243.89 Calculated Property
Pvap 0.37 kPa 288.53 Calculated Property
Pvap 4.74 kPa 333.17 Calculated Property
Pvap 29.36 kPa 377.81 Calculated Property
Pvap 114.46 kPa 422.44 Calculated Property
Pvap 329.40 kPa 467.08 Calculated Property
Pvap 774.07 kPa 511.72 Calculated Property
Pvap 1587.72 kPa 556.36 Calculated Property
Pvap 2974.72 kPa 601.00 Calculated Property

Similar Compounds

5-Nonanone, 2,8-dimethyl-. 3-Heptanone, 6-methyl-. 5-Nonanone, 2-methyl-. 4-Octanone, 7-methyl-. 2-Heptanone, 5-methyl-. 5-Decanone, 2-methyl-. 5-Undecanone, 2-methyl-. 10-Methyl-2-undecanone. 2-Octanone, 7-methyl-. 8-methylnonan-2-one. 2-Decanone, 9-methyl. 2-Heptanone, 6-methyl-. Cyclohexanone, 4-methyl-. Cyclohexanone, 4-methyl-. 2,7-Dimethyloctan-4-one.

Find more compounds similar to 2-Hexanone, 5-methyl-.

Mixtures

Sources

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