Chemical Properties of 4-Octanone (CAS 589-63-9)

4-Octanone

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InChI
InChI=1S/C8H16O/c1-3-5-7-8(9)6-4-2/h3-7H2,1-2H3
InChI Key
YWXLSHOWXZUMSR-UHFFFAOYSA-N
Formula
C8H16O
SMILES
CCCCC(=O)CCC
Molecular Weight1
128.21
CAS
589-63-9
Other Names
  • Butyl propyl ketone
  • Propyl n-butyl ketone
  • n-C4H9COCH2CH2CH3
  • octan-4-one
Sources

Physical Properties

Property Value Unit Source
Δcliquid -5048.58 kJ/mol NIST
Δf -112.44 kJ/mol Joback Calculated Property
Δfgas -349.30 ± 2.80 kJ/mol NIST
Δfus 18.07 kJ/mol Joback Calculated Property
Δvap 37.10 ± 0.20 kJ/mol NIST
IE 9.10 ± 0.05 eV NIST
logPoct/wat 2.55 Crippen Calculated Property
Pc 2704.22 kPa Joback Calculated Property
Tboil [436.00; 441.00] K Show Hide
Tboil 439.00 ± 3.00 K NIST
Tboil 436.00 ± 3.00 K NIST
Tboil 441.00 ± 3.00 K NIST
Tboil 436.00 ± 3.00 K NIST
Tboil 441.00 ± 2.00 K NIST
Tboil 440.00 ± 5.00 K NIST
Tc 623.80 ± 0.20 K NIST
Tfus 229.85 K Joback Calculated Property
Vc 0.49 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 255.50 J/mol×K 436.31 Joback Calculated Property
η 0.00 Pa×s 436.31 Joback Calculated Property
ΔvapH 36.40 kJ/mol 360.5 NIST

Molecular Descriptors

Joback and Reid Groups
-CH2- 5
>C=O (nonring) 1
-CH3 2

Similar Compounds

5-Nonanone. 3-Heptanone. 4-Nonanone. 3-Octanone. 6-Undecanone. 5-Decanone. 4-Heptanone. 5-Octadecanone. 9-Heptadecanone. Cycloheptadecanone. 11-Hentriacontanone. 7-Tetradecanone. 3-Tetradecanone. 3-Eicosanone. 18-Pentatriacontanone.

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