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
  • NADONE
  • NCI-C55005
  • NSC 5711
  • Pimelic ketone
  • Pimelin ketone
  • Rcra waste number U057
  • Sextone
  • UN 1915
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Physical Properties

Property Value Unit Source
ω 0.4420 KDB
PAff 841.00 kJ/mol NIST
Tig 693.15 K KDB
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
μ 3.10 debye KDB
η 0.0020200 Pa×s Densiti...
EA 0.00 eV NIST
LFL 1.10 % in Air KDB
Tflash,cc 327.04 K KDB
Tflash,oc 317.04 K KDB
Δf -90.81 kJ/mol KDB
Rg 3.4100 KDB
Δfgas [-231.10; -225.70] kJ/mol Show Hide
Δfgas -230.30 kJ/mol KDB
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 33.94 kJ/mol Joback Calculated Property
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
log10WS [-0.60; -0.60]   Show Hide
log10WS -0.60 Aq. Sol...
log10WS -0.60 Estimat...
logPoct/wat 1.520 Crippen Calculated Property
McVol 86.110 ml/mol McGowan Calculated Property
NFPA Fire 2 KDB
NFPA Health 1 KDB
Pc [3850.35; 4600.00] kPa Show Hide
Pc 4000.00 kPa KDB
Pc 4600.00 ± 100.00 kPa NIST
Pc 4000.00 ± 50.00 kPa NIST
Pc 3850.35 ± 202.65 kPa NIST
Inp [139.80; 903.00]   Show Hide
Inp 854.10 NIST
Inp 881.00 NIST
Inp 883.00 NIST
Inp 874.00 NIST
Inp 877.00 NIST
Inp 853.90 NIST
Inp 861.00 NIST
Inp 857.00 NIST
Inp 895.00 NIST
Inp 883.00 NIST
Inp 851.00 NIST
Inp 884.00 NIST
Inp 886.00 NIST
Inp 855.10 NIST
Inp 888.00 NIST
Inp 867.00 NIST
Inp 886.00 NIST
Inp 869.00 NIST
Inp 872.00 NIST
Inp 874.00 NIST
Inp 875.00 NIST
Inp 895.00 NIST
Inp 851.70 NIST
Inp 896.80 NIST
Inp 894.00 NIST
Inp 894.00 NIST
Inp 891.00 NIST
Inp 881.00 NIST
Inp 896.00 NIST
Inp 881.00 NIST
Inp 876.00 NIST
Inp 866.00 NIST
Inp 871.00 NIST
Inp 874.00 NIST
Inp 882.00 NIST
Inp 890.00 NIST
Inp 867.00 NIST
Inp 879.00 NIST
Inp 862.00 NIST
Inp 864.00 NIST
Inp 865.00 NIST
Inp 866.00 NIST
Inp 860.00 NIST
Inp 862.00 NIST
Inp 862.00 NIST
Inp 894.00 NIST
Inp 896.00 NIST
Inp 897.00 NIST
Inp 864.00 NIST
Inp 903.00 NIST
Inp 854.00 NIST
Inp 858.00 NIST
Inp 867.00 NIST
Inp 871.00 NIST
Inp 858.00 NIST
Inp 894.00 NIST
Inp 854.00 NIST
Inp 858.00 NIST
Inp 875.00 NIST
Inp 894.00 NIST
Inp 895.00 NIST
Inp 871.00 NIST
Inp 875.00 NIST
Inp 898.00 NIST
Inp 878.00 NIST
Inp 862.00 NIST
Inp 878.00 NIST
Inp 875.00 NIST
Inp 857.00 NIST
Inp 875.00 NIST
Inp 900.00 NIST
Inp 855.00 NIST
Inp Outlier 139.80 NIST
Inp Outlier 139.80 NIST
Inp 895.00 NIST
Inp 891.00 NIST
Inp 869.00 NIST
Inp 896.00 NIST
Inp 854.10 NIST
Inp 853.90 NIST
Inp 851.00 NIST
Inp 867.00 NIST
I [1273.00; 1333.00]   Show Hide
I 1301.00 NIST
I 1310.00 NIST
I 1287.00 NIST
I 1282.00 NIST
I 1280.00 NIST
I 1281.00 NIST
I 1291.00 NIST
I 1291.00 NIST
I 1275.00 NIST
I 1311.00 NIST
I 1280.00 NIST
I 1280.00 NIST
I 1315.00 NIST
I 1314.00 NIST
I 1314.00 NIST
I 1291.00 NIST
I 1296.00 NIST
I Outlier 1333.00 NIST
I 1282.00 NIST
I 1302.00 NIST
I 1281.00 NIST
I 1281.00 NIST
I 1320.00 NIST
I 1285.00 NIST
I 1299.00 NIST
I 1273.00 NIST
I 1285.00 NIST
I 1311.00 NIST
I 1314.00 NIST
I 1306.00 NIST
I 1306.00 NIST
I 1289.00 NIST
I 1306.00 NIST
I 1275.00 NIST
I 1301.00 NIST
I 1281.00 NIST
I 1273.00 NIST
I 1302.00 NIST
I 1285.00 NIST
I 1289.00 NIST
I 1291.00 NIST
I 1280.00 NIST
I 1296.00 NIST
I 1282.00 NIST
gas 335.53 J/mol×K NIST
liquid 229.03 J/mol×K NIST
Tboil [428.57; 428.84] K Show Hide
Tboil 428.58 K KDB
Tboil 428.69 K (Liquid...
Tboil 428.84 K Excess ...
Tboil 428.57 K Measure...
Tc [629.15; 664.30] K Show Hide
Tc 653.00 K KDB
Tc 664.30 ± 3.00 K NIST
Tc 653.00 ± 3.00 K NIST
Tc 629.15 ± 1.50 K NIST
Tfus [242.00; 245.90] K Show Hide
Tfus 242.00 K KDB
Tfus 245.90 K Vapour ...
Ttriple [242.40; 245.21] K Show Hide
Ttriple 245.21 ± 0.01 K NIST
Ttriple 242.40 ± 0.50 K NIST
Vc 0.312 m3/kmol Joback Calculated Property
Zra 0.25 KDB

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [155.20; 190.18] J/mol×K [385.00; 480.00] Show Hide
Cp,gas 155.20 J/mol×K 385.00 NIST
Cp,gas 161.07 J/mol×K 400.00 NIST
Cp,gas 168.98 J/mol×K 420.00 NIST
Cp,gas 175.81 J/mol×K 440.00 NIST
Cp,gas 183.65 J/mol×K 460.00 NIST
Cp,gas 190.18 J/mol×K 480.00 NIST
Cp,liquid [177.20; 200.40] J/mol×K [290.00; 304.20] Show Hide
Cp,liquid 177.80 J/mol×K 290.00 NIST
Cp,liquid 177.20 J/mol×K 300.00 NIST
Cp,liquid 200.40 J/mol×K 304.20 NIST
η [0.0013730; 0.0025990] Pa×s [288.15; 318.15] Show Hide
η 0.0025990 Pa×s 288.15 Densiti...
η 0.0023318 Pa×s 293.15 Densiti...
η 0.0020212 Pa×s 298.15 Thermop...
η 0.0021016 Pa×s 298.15 Densiti...
η 0.0020570 Pa×s 298.15 Densiti...
η 0.0019740 Pa×s 298.15 Excess ...
η 0.0020190 Pa×s 298.15 Density...
η 0.0018057 Pa×s 303.15 Thermop...
η 0.0018170 Pa×s 303.15 Density...
η 0.0019045 Pa×s 303.15 Densiti...
η 0.0018470 Pa×s 303.15 Densiti...
η 0.0018160 Pa×s 303.15 Densiti...
η 0.0017338 Pa×s 308.15 Densiti...
η 0.0016570 Pa×s 308.15 Densiti...
η 0.0015849 Pa×s 308.15 Thermop...
η 0.0016310 Pa×s 308.15 Density...
η 0.0016320 Pa×s 308.15 Excess ...
η 0.0016940 Pa×s 308.15 Densiti...
η 0.0014760 Pa×s 313.15 Density...
η 0.0015460 Pa×s 313.15 Densiti...
η 0.0015420 Pa×s 313.15 Densiti...
η 0.0015842 Pa×s 313.15 Densiti...
η 0.0013730 Pa×s 318.15 Excess ...
ΔfusH [1.25; 8.66] kJ/mol [220.80; 245.20] Show Hide
ΔfusH 8.66 kJ/mol 220.80 NIST
ΔfusH 8.51 kJ/mol 221.00 NIST
ΔfusH 1.25 kJ/mol 242.60 NIST
ΔfusH 1.33 kJ/mol 245.20 NIST
ΔfusH 1.33 kJ/mol 245.20 NIST
ΔsubH 49.30 kJ/mol 254.00 NIST
ΔvapH [39.75; 45.13] kJ/mol [285.50; 428.80] Show Hide
ΔvapH 40.30 kJ/mol 285.50 NIST
ΔvapH 44.40 ± 0.10 kJ/mol 308.00 NIST
ΔvapH 44.00 ± 0.10 kJ/mol 313.00 NIST
ΔvapH 43.40 ± 0.10 kJ/mol 323.00 NIST
ΔvapH 43.10 ± 0.10 kJ/mol 328.00 NIST
ΔvapH 42.20 ± 0.10 kJ/mol 338.00 NIST
ΔvapH 41.80 ± 0.10 kJ/mol 343.00 NIST
ΔvapH 41.40 ± 0.10 kJ/mol 348.00 NIST
ΔvapH 44.00 kJ/mol 373.00 NIST
ΔvapH 43.10 kJ/mol 385.00 NIST
ΔvapH 41.50 kJ/mol 400.50 NIST
ΔvapH 42.20 kJ/mol 401.50 NIST
ΔvapH 40.40 kJ/mol 410.50 NIST
ΔvapH 39.75 kJ/mol 428.20 KDB
ΔvapH 45.13 kJ/mol 428.80 NIST
Pvap [0.64; 101.30] kPa [298.15; 428.57] Show Hide
Pvap 0.64 kPa 298.15 (Vapour...
Pvap 1.16 kPa 308.15 (Vapour...
Pvap 1.92 kPa 318.15 (Vapour...
Pvap 95.30 kPa 426.25 Excess ...
Pvap 99.00 kPa 428.01 Vapor-L...
Pvap 101.30 kPa 428.57 Measure...
n0 [1.44400; 1.45100]   [293.10; 308.15] Show Hide
n0 1.45070 293.10 Volumet...
n0 1.45100 293.15 Activit...
n0 1.45070 293.15 Effect ...
n0 1.45100 298.15 Bubble ...
n0 1.44820 298.15 Vapour ...
n0 1.44810 298.15 Isother...
n0 1.45010 298.15 Excess ...
n0 1.44860 298.15 Density...
n0 1.44980 298.15 Solubil...
n0 1.45030 298.20 Tie-lin...
n0 1.44610 303.15 Density...
n0 1.44400 308.15 Density...
ρl [920.70; 951.69] kg/m3 [288.00; 323.15] Show Hide
ρl 951.00 kg/m3 288.00 KDB
ρl 951.18 kg/m3 288.15 Volumet...
ρl 951.69 kg/m3 288.15 Densiti...
ρl 947.60 kg/m3 293.10 Vapor-L...
ρl 947.38 kg/m3 293.15 Thermod...
ρl 946.71 kg/m3 293.15 Volumet...
ρl 948.80 kg/m3 293.15 Correla...
ρl 942.20 kg/m3 298.15 Excess ...
ρl 942.76 kg/m3 298.15 Densiti...
ρl 943.10 kg/m3 298.15 Correla...
ρl 942.24 kg/m3 298.15 Volumet...
ρl 942.92 kg/m3 298.15 Thermod...
ρl 941.10 kg/m3 298.15 Isobari...
ρl 937.55 kg/m3 303.15 Excess ...
ρl 938.07 kg/m3 303.15 Thermod...
ρl 938.20 kg/m3 303.15 Correla...
ρl 937.77 kg/m3 303.15 Volumet...
ρl 933.28 kg/m3 308.15 Volumet...
ρl 933.50 kg/m3 308.15 Correla...
ρl 933.19 kg/m3 308.15 Thermod...
ρl 933.80 kg/m3 308.15 Densiti...
ρl 928.80 kg/m3 313.15 Correla...
ρl 928.79 kg/m3 313.15 Volumet...
ρl 924.40 kg/m3 318.15 Correla...
ρl 924.82 kg/m3 318.15 Densiti...
ρl 920.70 kg/m3 323.15 Correla...
ΔfusS [5.20; 39.22] J/mol×K [220.80; 245.20] Show Hide
ΔfusS 39.22 J/mol×K 220.80 NIST
ΔfusS 38.50 J/mol×K 221.00 NIST
ΔfusS 5.20 J/mol×K 242.60 NIST
ΔfusS 5.42 J/mol×K 245.20 NIST

Pressure Dependent Properties

Property Value Unit Pressure (kPa) Source
Tboilr 320.20 K 2.00 NIST

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.66] kPa [315.32; 454.86] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.55797e+01
Coefficient B-4.36137e+03
Coefficient C-3.01140e+01
Temperature range, min.315.32
Temperature range, max.454.86
Pvap 1.33 kPa 315.32 Calculated Property
Pvap 2.93 kPa 330.82 Calculated Property
Pvap 5.97 kPa 346.33 Calculated Property
Pvap 11.38 kPa 361.83 Calculated Property
Pvap 20.47 kPa 377.34 Calculated Property
Pvap 35.02 kPa 392.84 Calculated Property
Pvap 57.33 kPa 408.35 Calculated Property
Pvap 90.27 kPa 423.85 Calculated Property
Pvap 137.34 kPa 439.36 Calculated Property
Pvap 202.66 kPa 454.86 Calculated Property
Pvap [7.24e-03; 4053.12] kPa [242.00; 629.15] KDB Vap... Show Hide
Equationln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A1.05154e+02
Coefficient B-8.84188e+03
Coefficient C-1.35148e+01
Coefficient D1.08668e-05
Temperature range, min.242.00
Temperature range, max.629.15
Pvap 7.24e-03 kPa 242.00 Calculated Property
Pvap 0.25 kPa 285.02 Calculated Property
Pvap 2.93 kPa 328.03 Calculated Property
Pvap 17.51 kPa 371.05 Calculated Property
Pvap 68.22 kPa 414.07 Calculated Property
Pvap 201.10 kPa 457.08 Calculated Property
Pvap 492.54 kPa 500.10 Calculated Property
Pvap 1066.76 kPa 543.12 Calculated Property
Pvap 2132.17 kPa 586.13 Calculated Property
Pvap 4053.12 kPa 629.15 Calculated Property

Similar Compounds

Cycloheptanone. Cyclotridecanone. Cyclooctadecanone. Cyclopentadecanone. Cyclohexadecanone. Cycloheptadecanone. Cyclotetradecanone-. Cyclodecanone. Cyclononanone. Cycloundecanone. Cyclododecanone. Cyclooctanone. 1,10-Cycloeicosanedione. 1,3-Cyclohexanedione. 1,4-Cyclooctanedione.

Find more compounds similar to Cyclohexanone.

Mixtures

Find more mixtures with Cyclohexanone.

Sources

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

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