Chemical Properties of 3-Methyl-4-octanone (CAS 20754-04-5)

3-Methyl-4-octanone

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InChI
InChI=1S/C9H18O/c1-4-6-7-9(10)8(3)5-2/h8H,4-7H2,1-3H3
InChI Key
NXTOCVYXABBSGX-UHFFFAOYSA-N
Formula
C9H18O
SMILES
CCCCC(=O)C(C)CC
Molecular Weight1
142.24
CAS
20754-04-5
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Physical Properties

Property Value Unit Source
Δf -106.46 kJ/mol Joback Calculated Property
Δfgas -346.95 kJ/mol Joback Calculated Property
Δfus 17.14 kJ/mol Joback Calculated Property
Δvap 41.99 kJ/mol Joback Calculated Property
log10WS -2.63 Crippen Calculated Property
logPoct/wat 2.792 Crippen Calculated Property
McVol 139.240 ml/mol McGowan Calculated Property
Pc 2472.73 kPa Joback Calculated Property
I [1968.00; 1968.00]   Show Hide
I 1968.00 NIST
I 1968.00 NIST
Tboil 447.00 ± 4.00 K NIST
Tc 636.64 K Joback Calculated Property
Tfus 226.12 K Joback Calculated Property
Vc 0.539 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [297.82; 372.87] J/mol×K [458.75; 636.64] Show Hide
Cp,gas 297.82 J/mol×K 458.75 Joback Calculated Property
Cp,gas 311.71 J/mol×K 488.40 Joback Calculated Property
Cp,gas 325.02 J/mol×K 518.05 Joback Calculated Property
Cp,gas 337.78 J/mol×K 547.69 Joback Calculated Property
Cp,gas 350.00 J/mol×K 577.34 Joback Calculated Property
Cp,gas 361.70 J/mol×K 606.99 Joback Calculated Property
Cp,gas 372.87 J/mol×K 636.64 Joback Calculated Property
η [0.0002699; 0.0068479] Pa×s [226.12; 458.75] Show Hide
η 0.0068479 Pa×s 226.12 Joback Calculated Property
η 0.0026929 Pa×s 264.89 Joback Calculated Property
η 0.0013439 Pa×s 303.66 Joback Calculated Property
η 0.0007850 Pa×s 342.44 Joback Calculated Property
η 0.0005116 Pa×s 381.21 Joback Calculated Property
η 0.0003608 Pa×s 419.98 Joback Calculated Property
η 0.0002699 Pa×s 458.75 Joback Calculated Property

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.64] kPa [335.22; 474.10] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.50698e+01
Coefficient B-3.98769e+03
Coefficient C-6.54580e+01
Temperature range, min.335.22
Temperature range, max.474.10
Pvap 1.33 kPa 335.22 Calculated Property
Pvap 2.97 kPa 350.65 Calculated Property
Pvap 6.08 kPa 366.08 Calculated Property
Pvap 11.62 kPa 381.51 Calculated Property
Pvap 20.91 kPa 396.94 Calculated Property
Pvap 35.70 kPa 412.38 Calculated Property
Pvap 58.25 kPa 427.81 Calculated Property
Pvap 91.31 kPa 443.24 Calculated Property
Pvap 138.17 kPa 458.67 Calculated Property
Pvap 202.64 kPa 474.10 Calculated Property

Similar Compounds

3-Methyltridecan-4-one. 3-Methyl-4-nonanone. 4-Methyl-5-nonanone. 4-Heptanone, 3-methyl-. 3-Ethyl-4-octanone. Cyclooctanone, 2-methyl-. 3-Heptanone, 4-methyl-. Cyclohexanone, 2-methyl-, (.+/-.)-. Cyclohexanone, 2-methyl-. 4-Heptanone, 3-ethyl-. Cyclohexanone, 2-ethyl-. 1-Butanone, 1-cyclohexyl-. Cyclohexanone, 2-propyl-. Cyclohexanone, 2-butyl-. 2,5-Dimethylcyclohexanone.

Find more compounds similar to 3-Methyl-4-octanone.

Sources

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