Chemical Properties of 3-Hexanone (CAS 589-38-8)

3-Hexanone

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InChI
InChI=1S/C6H12O/c1-3-5-6(7)4-2/h3-5H2,1-2H3
InChI Key
PFCHFHIRKBAQGU-UHFFFAOYSA-N
Formula
C6H12O
SMILES
CCCC(=O)CC
Molecular Weight1
100.16
CAS
589-38-8
Other Names
  • Aethylpropylketon
  • Ethyl n-propyl ketone
  • Ethyl propyl ketone
  • Hexan-3-one
  • Hexanone-(3)
  • n-C3H7COC2H5
Sources

Physical Properties

Property Value Unit Source
PAff 843.20 kJ/mol NIST
BasG 811.30 kJ/mol NIST
Δcliquid -3755.90 ± 0.79 kJ/mol NIST
Δf -129.28 kJ/mol Joback Calculated Property
Δfgas -278.25 ± 0.89 kJ/mol NIST
Δfliquid -320.13 ± 0.86 kJ/mol NIST
Δfus 12.89 kJ/mol Joback Calculated Property
Δvap [40.60; 42.52] kJ/mol Show Hide
Δvap 42.52 kJ/mol NIST
Δvap 42.45 kJ/mol NIST
Δvap Outlier 40.60 ± 0.10 kJ/mol NIST
Δvap 42.30 ± 0.30 kJ/mol NIST
Δvap 42.30 kJ/mol NIST
Δvap 41.90 ± 0.20 kJ/mol NIST
IE 9.30 eV NIST
IE 9.12 ± 0.02 eV NIST
logPoct/wat 1.766 Crippen Calculated Property
Pc 3320.00 ± 20.00 kPa NIST
gas 409.60 J/mol×K NIST
liquid 305.30 J/mol×K NIST
Tboil [395.15; 398.15] K Show Hide
Tboil 396.20 K NIST
Tboil 396.70 K NIST
Tboil 396.64 ± 0.05 K NIST
Tboil 397.00 ± 3.00 K NIST
Tboil Outlier 395.15 ± 2.00 K NIST
Tboil 397.15 ± 2.00 K NIST
Tboil 396.65 ± 1.50 K NIST
Tboil 396.25 ± 0.50 K NIST
Tboil 396.45 ± 0.50 K NIST
Tboil 397.15 ± 1.50 K NIST
Tboil 396.50 ± 0.50 K NIST
Tboil 396.45 ± 0.50 K NIST
Tboil 396.15 ± 1.00 K NIST
Tboil Outlier 398.15 ± 1.00 K NIST
Tboil 396.80 ± 0.30 K NIST
Tboil 396.15 ± 1.00 K NIST
Tboil 396.15 ± 1.00 K NIST
Tboil Outlier 395.15 ± 1.00 K NIST
Tboil 396.65 ± 1.00 K NIST
Tboil 396.15 ± 1.00 K NIST
Tboil 396.15 ± 2.00 K NIST
Tboil 396.15 ± 1.00 K NIST
Tc 583.20 ± 0.25 K NIST
Tc 582.80 K NIST
Tc 582.82 ± 0.40 K NIST
Tfus 217.48 ± 0.02 K NIST
Tfus 217.50 ± 0.01 K NIST
Ttriple 217.72 ± 0.05 K NIST
Vc 0.378 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [178.45; 215.81] J/mol×K [383.15; 498.15] Show Hide
Plot of Ideal gas heat capacity.
Cp,gas 178.45 J/mol×K 383.15 NIST
Cp,gas 185.14 J/mol×K 403.15 NIST
Cp,gas 191.92 J/mol×K 423.15 NIST
Cp,gas 200.41 J/mol×K 448.15 NIST
Cp,gas 208.03 J/mol×K 473.15 NIST
Cp,gas 215.81 J/mol×K 498.15 NIST
Cp,liquid 216.90 J/mol×K 298.15 NIST
Cp,liquid 216.30 J/mol×K 298.15 NIST
η 0.0003008 Pa×s 390.55 Joback Calculated Property
ΔfusH 0.68 kJ/mol 145.0 NIST
ΔfusH 13.47 kJ/mol 217.7 NIST
ΔvapH [35.36; 42.20] kJ/mol [349.00; 547.00] Show Hide
Plot of Enthalpy of vaporization at a given temperature.
ΔvapH 42.20 kJ/mol 349.0 NIST
ΔvapH 38.40 ± 0.10 kJ/mol 354.0 NIST
ΔvapH 37.00 ± 0.10 kJ/mol 374.0 NIST
ΔvapH 38.80 kJ/mol 377.5 NIST
ΔvapH 38.90 kJ/mol 380.5 NIST
ΔvapH 35.40 ± 0.10 kJ/mol 396.0 NIST
ΔvapH 35.36 kJ/mol 396.7 NIST
ΔvapH 36.50 kJ/mol 462.5 NIST
ΔvapH 35.40 kJ/mol 547.0 NIST
ΔfusS 4.70 J/mol×K 145.0 NIST
ΔfusS 61.89 J/mol×K 217.7 NIST

Molecular Descriptors

Joback and Reid Groups
-CH2- 3
>C=O (nonring) 1
-CH3 2

Similar Compounds

4-Heptanone. 3-Heptanone. 2-Pentanone. 2-Hexanone. Cyclohexanone. 5-Nonanone. 4-Octanone. 4-oxohexanal. 2,4-Hexanedione. 3-Pentanone. Cyclopentanone. 3,4-Hexanedione. 3-Hexanone, 5-methyl-. 4-Nonanone. 6-Undecanone.

Find more compounds similar to 3-Hexanone.

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