Chemical Properties of 2-Hexanone, 3-methyl- (CAS 2550-21-2)

2-Hexanone, 3-methyl-

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InChI
InChI=1S/C7H14O/c1-4-5-6(2)7(3)8/h6H,4-5H2,1-3H3
InChI Key
GYWYASONLSQZBB-UHFFFAOYSA-N
Formula
C7H14O
SMILES
CCCC(C)C(C)=O
Molecular Weight1
114.19
CAS
2550-21-2
Other Names
  • 3-Methyl-2-hexanone
  • 3-Methylhexanone
  • 3-methylhexan-2-one
  • CH3(CH2)2CH(CH3)COCH3
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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 [9.19; 9.22] eV Show Hide
IE 9.19 eV NIST
IE 9.22 eV NIST
log10WS -1.79 Crippen Calculated Property
logPoct/wat 2.012 Crippen Calculated Property
McVol 111.060 ml/mol McGowan Calculated Property
Pc 3022.28 kPa Joback Calculated Property
Inp [832.00; 851.00]   Show Hide
Inp 832.00 NIST
Inp 844.40 NIST
Inp 851.00 NIST
Inp 844.40 NIST
Inp 832.00 NIST
I 1095.00 NIST
Tboil [409.65; 417.00] K Show Hide
Tboil 411.15 ± 2.00 K NIST
Tboil 410.65 ± 3.00 K NIST
Tboil 411.00 ± 4.00 K NIST
Tboil Outlier 417.00 ± 5.00 K NIST
Tboil 411.15 ± 2.00 K NIST
Tboil 409.65 ± 1.00 K NIST
Tc 593.63 K Joback Calculated Property
Tfus 203.58 K Joback Calculated Property
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

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.64] kPa [308.02; 437.17] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.51146e+01
Coefficient B-3.73663e+03
Coefficient C-5.60060e+01
Temperature range, min.308.02
Temperature range, max.437.17
Pvap 1.33 kPa 308.02 Calculated Property
Pvap 2.96 kPa 322.37 Calculated Property
Pvap 6.07 kPa 336.72 Calculated Property
Pvap 11.60 kPa 351.07 Calculated Property
Pvap 20.87 kPa 365.42 Calculated Property
Pvap 35.64 kPa 379.77 Calculated Property
Pvap 58.16 kPa 394.12 Calculated Property
Pvap 91.21 kPa 408.47 Calculated Property
Pvap 138.09 kPa 422.82 Calculated Property
Pvap 202.64 kPa 437.17 Calculated Property

Similar Compounds

2-Heptanone, 3-methyl-. 3-methyl-2-nonanone. 3-Heptanone, 4-methyl-. Ethanone, 1-cyclopentyl-. 3,5-Dimethyl-2-octanone. 4-Methyl-5-nonanone. 3-Heptanone, 2,4-dimethyl-. Ethanone, 1-cyclododecyl-. Cyclohexanone, 2-methyl-. Cyclohexanone, 2-methyl-, (.+/-.)-. Ethanone, 1-cyclohexyl-. 2-Hexanone, 3,4-dimethyl-. Cyclooctanone, 2-methyl-. Cyclopentanone, 2-methyl-. Cyclohexanone, 2,6-dimethyl-.

Find more compounds similar to 2-Hexanone, 3-methyl-.

Sources

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