Chemical Properties of Cyclohexanone (CAS 108-94-1)

Cyclohexanone

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InChI
InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2
InChI Key
JHIVVAPYMSGYDF-UHFFFAOYSA-N
Formula
C6H10O
SMILES
O=C1CCCCC1
Molecular Weight1
98.14
CAS
108-94-1
Other Names
  • Anon
  • Anone
  • Cicloesanone
  • Cyclohexanon
  • Cyclohexyl ketone
  • Cykloheksanon
  • Hexanon
  • Hytrol O
  • Ketohexamethylene
  • NCI-C55005
  • NSC 5711
  • Nadone
  • Pimelic ketone
  • Pimelin ketone
  • Rcra waste number U057
  • Sextone
  • UN 1915
Sources

Physical Properties

Property Value Unit Source
PAff 841.00 kJ/mol NIST
BasG 811.20 kJ/mol NIST
Δcliquid [-3536.00; -3499.00] kJ/mol Show Hide
Δcliquid -3517.60 ± 1.70 kJ/mol NIST
Δcliquid -3536.00 ± 2.00 kJ/mol NIST
Δcliquid -3518.90 ± 1.00 kJ/mol NIST
Δcliquid -3499.00 ± 0.80 kJ/mol NIST
EA 0.00 eV NIST
Δf -90.79 kJ/mol Joback Calculated Property
Δfgas [-231.10; -225.70] kJ/mol Show Hide
Δfgas -231.10 ± 0.88 kJ/mol NIST
Δfgas -225.70 kJ/mol NIST
Δfgas -227.70 ± 1.90 kJ/mol NIST
Δfgas -226.30 kJ/mol NIST
Δfliquid [-276.10; -254.00] kJ/mol Show Hide
Δfliquid -276.10 ± 0.84 kJ/mol NIST
Δfliquid -272.60 ± 1.80 kJ/mol NIST
Δfliquid -254.00 ± 2.00 kJ/mol NIST
Δfliquid -271.40 kJ/mol NIST
Δfus 1.57 kJ/mol Joback Calculated Property
Δvap [39.80; 46.60] kJ/mol Show Hide
Δvap 45.09 kJ/mol NIST
Δvap 46.60 ± 0.40 kJ/mol NIST
Δvap 44.89 ± 0.63 kJ/mol NIST
Δvap 44.90 ± 0.60 kJ/mol NIST
Δvap 45.10 ± 0.10 kJ/mol NIST
Δvap 45.06 kJ/mol NIST
Δvap Outlier 39.80 kJ/mol NIST
IE [9.14; 9.50] eV Show Hide
IE 9.16 ± 0.02 eV NIST
IE 9.18 eV NIST
IE Outlier 9.50 ± 0.20 eV NIST
IE 9.16 ± 0.01 eV NIST
IE 9.14 ± 0.01 eV NIST
IE 9.14 ± 0.03 eV NIST
IE 9.29 eV NIST
IE 9.18 eV NIST
IE 9.28 eV NIST
IE 9.14 ± 0.02 eV NIST
logPoct/wat 1.520 Crippen Calculated Property
Pc 4600.00 ± 100.00 kPa NIST
Pc 4000.00 ± 50.00 kPa NIST
Pc 3850.35 ± 202.65 kPa NIST
gas 335.53 J/mol×K NIST
liquid 229.03 J/mol×K NIST
Tboil [320.20; 429.90] K Show Hide
Tboil Outlier 320.20 K NIST
Tboil 383.05 ± 0.15 K NIST
Tboil 428.70 K NIST
Tboil 428.70 ± 0.30 K NIST
Tboil 428.70 ± 0.50 K NIST
Tboil 428.55 ± 0.50 K NIST
Tboil 428.75 ± 0.40 K NIST
Tboil 428.40 ± 0.50 K NIST
Tboil 428.15 ± 1.50 K NIST
Tboil 428.70 ± 0.40 K NIST
Tboil 428.75 ± 0.50 K NIST
Tboil 429.15 ± 1.50 K NIST
Tboil 428.90 ± 0.50 K NIST
Tboil 426.65 ± 0.50 K NIST
Tboil 428.80 ± 0.20 K NIST
Tboil 428.80 ± 0.50 K NIST
Tboil 427.00 ± 3.00 K NIST
Tboil 429.90 ± 2.00 K NIST
Tboil 426.00 ± 10.00 K NIST
Tboil 424.00 ± 4.00 K NIST
Tboil 428.15 ± 2.00 K NIST
Tboil 428.60 ± 2.00 K NIST
Tboil 429.00 ± 5.00 K NIST
Tboil 426.15 ± 3.00 K NIST
Tc 664.30 ± 3.00 K NIST
Tc 653.00 ± 3.00 K NIST
Tc 629.15 ± 1.50 K NIST
Tfus [233.00; 256.75] K Show Hide
Tfus 242.45 ± 1.00 K NIST
Tfus 241.05 ± 0.50 K NIST
Tfus 244.85 ± 0.30 K NIST
Tfus 241.95 ± 0.60 K NIST
Tfus 241.20 ± 0.40 K NIST
Tfus 233.00 ± 5.00 K NIST
Tfus 241.80 ± 0.60 K NIST
Tfus Outlier 256.75 ± 0.50 K NIST
Ttriple 245.21 ± 0.01 K NIST
Ttriple 242.40 ± 0.50 K NIST
Vc 0.312 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [155.20; 190.18] J/mol×K [385.00; 480.00] Show Hide
Plot of Ideal gas heat capacity.
Cp,gas 155.20 J/mol×K 385.0 NIST
Cp,gas 161.07 J/mol×K 400.0 NIST
Cp,gas 168.98 J/mol×K 420.0 NIST
Cp,gas 175.81 J/mol×K 440.0 NIST
Cp,gas 183.65 J/mol×K 460.0 NIST
Cp,gas 190.18 J/mol×K 480.0 NIST
Cp,liquid 177.80 J/mol×K 290.0 NIST
Cp,liquid 177.20 J/mol×K 300.0 NIST
Cp,liquid 200.40 J/mol×K 304.2 NIST
ΔfusH 8.66 kJ/mol 220.8 NIST
ΔfusH 1.33 kJ/mol 245.2 NIST
ΔsubH 49.30 kJ/mol 254.0 NIST
ΔvapH [40.30; 45.13] kJ/mol [285.50; 428.80] Show Hide
Plot of Enthalpy of vaporization at a given temperature.
ΔvapH 40.30 kJ/mol 285.5 NIST
ΔvapH 44.40 ± 0.10 kJ/mol 308.0 NIST
ΔvapH 44.00 ± 0.10 kJ/mol 313.0 NIST
ΔvapH 43.40 ± 0.10 kJ/mol 323.0 NIST
ΔvapH 43.10 ± 0.10 kJ/mol 328.0 NIST
ΔvapH 42.20 ± 0.10 kJ/mol 338.0 NIST
ΔvapH 41.80 ± 0.10 kJ/mol 343.0 NIST
ΔvapH 41.40 ± 0.10 kJ/mol 348.0 NIST
ΔvapH 44.00 kJ/mol 373.0 NIST
ΔvapH 43.10 kJ/mol 385.0 NIST
ΔvapH 41.50 kJ/mol 400.5 NIST
ΔvapH 42.20 kJ/mol 401.5 NIST
ΔvapH 40.40 kJ/mol 410.5 NIST
ΔvapH 45.13 kJ/mol 428.8 NIST
ΔfusS 39.22 J/mol×K 220.8 NIST
ΔfusS 5.42 J/mol×K 245.2 NIST

Molecular Descriptors

Joback and Reid Groups
>C=O (ring) 1
-CH2- (ring) 5

Similar Compounds

1,4-Cyclohexanedione. 4-oxohexanal. 3-Hexanone. 3-Heptanone. 5-Decanone. 4-Nonanone. 3-Octanone. 6-Undecanone. 2-Hexanone. 1,3-Cyclohexanedione. 4-Octanone. 5-Nonanone. 2-Heptanone. Cycloundecanone. Nonacosan-10-one.

Find more compounds similar to Cyclohexanone.

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