Chemical Properties of 3-Heptanone (CAS 106-35-4)

3-Heptanone

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InChI
InChI=1S/C7H14O/c1-3-5-6-7(8)4-2/h3-6H2,1-2H3
InChI Key
NGAZZOYFWWSOGK-UHFFFAOYSA-N
Formula
C7H14O
SMILES
CCCCC(=O)CC
Molecular Weight1
114.19
CAS
106-35-4
Other Names
  • 3-Oxoheptane
  • Aethylbutylketon
  • Butyl ethyl ketone
  • Eptan-3-one
  • Ethyl butyl ketone
  • Ethyl n-butyl ketone
  • Ethylbutylcetone
  • Ethylbutylketon
  • Etilbutilchetone
  • Heptan-3-on
  • Heptan-3-one
  • NSC 8448
  • n-Butyl ethyl ketone
  • n-C4H9COC2H5
  • n-Heptan-3-one
Sources

Physical Properties

Property Value Unit Source
Δf -120.86 kJ/mol Joback Calculated Property
Δfgas -300.39 kJ/mol Joback Calculated Property
Δfus 15.48 kJ/mol Joback Calculated Property
Δvap 37.92 kJ/mol Joback Calculated Property
IE [9.02; 9.26] eV Show Hide
IE 9.15 ± 0.09 eV NIST
IE 9.18 eV NIST
IE 9.26 eV NIST
IE 9.02 ± 0.02 eV NIST
IE 9.15 ± 0.02 eV NIST
logPoct/wat 2.16 Crippen Calculated Property
Pc 2995.87 kPa Joback Calculated Property
Tboil [414.15; 422.65] K Show Hide
Tboil 420.70 K NIST
Tboil 420.45 K NIST
Tboil 418.65 ± 3.00 K NIST
Tboil 420.80 ± 0.60 K NIST
Tboil 420.95 ± 1.00 K NIST
Tboil 420.75 ± 0.50 K NIST
Tboil 420.55 ± 0.50 K NIST
Tboil 418.65 ± 3.00 K NIST
Tboil 418.90 ± 3.00 K NIST
Tboil 420.15 ± 3.00 K NIST
Tboil 416.65 ± 3.00 K NIST
Tboil Outlier 414.15 ± 2.00 K NIST
Tboil 420.20 ± 0.50 K NIST
Tboil 420.65 ± 4.00 K NIST
Tboil 422.65 ± 5.00 K NIST
Tc 606.60 ± 0.25 K NIST
Tfus 420.45 K NIST
Vc 0.43 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 215.46 J/mol×K 413.43 Joback Calculated Property
η 0.00 Pa×s 413.43 Joback Calculated Property
ΔfusH 17.53 kJ/mol 236.0 NIST

Molecular Descriptors

Joback and Reid Groups
-CH2- 4
>C=O (nonring) 1
-CH3 2

Similar Compounds

5-Nonanone. 4-Octanone. 4-Heptanone. 3-Octanone. 6-Undecanone. 4-Nonanone. 5-Decanone. 3-Eicosanone. Nonacosan-14-one. 11-Hentriacontanone. 4-Tridecanone. 1,10-Cycloeicosanedione. 6-Tridecanone. Cyclononanone. Cyclodecanone.

Find more compounds similar to 3-Heptanone.

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