Chemical Properties of 2-Octanone (CAS 111-13-7)

2-Octanone

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InChI
InChI=1S/C8H16O/c1-3-4-5-6-7-8(2)9/h3-7H2,1-2H3
InChI Key
ZPVFWPFBNIEHGJ-UHFFFAOYSA-N
Formula
C8H16O
SMILES
CCCCCCC(C)=O
Molecular Weight1
128.21
CAS
111-13-7
Other Names
  • Hexyl methyl ketone
  • Methyl hexyl ketone
  • Methyl n-hexyl ketone
  • N-HEXYL METHYL KETONE
  • Octan-2-one
  • Octanone-2
  • n-C6H13COCH3
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Physical Properties

Property Value Unit Source
Δcliquid [-5070.20; -5050.13] kJ/mol Show Hide
Δcliquid -5050.13 kJ/mol NIST
Δcliquid -5070.20 kJ/mol NIST
Δf -112.44 kJ/mol Joback Calculated Property
Δfgas -345.10 ± 2.50 kJ/mol NIST
Δfus 18.07 kJ/mol Joback Calculated Property
Δvap [39.80; 52.60] kJ/mol Show Hide
Δvap 52.60 kJ/mol NIST
Δvap 52.00 ± 0.30 kJ/mol NIST
Δvap 51.80 kJ/mol NIST
Δvap 39.80 ± 0.20 kJ/mol NIST
IE [9.38; 9.75] eV Show Hide
IE 9.75 eV NIST
IE 9.40 ± 0.03 eV NIST
IE 9.38 eV NIST
log10WS [-2.05; -2.05]   Show Hide
log10WS -2.05 Aq. Sol...
log10WS -2.05 Estimat...
logPoct/wat 2.546 Crippen Calculated Property
McVol 125.150 ml/mol McGowan Calculated Property
Pc 2704.22 kPa Joback Calculated Property
ρc 257.71 ± 2.56 kg/m3 NIST
Inp [938.50; 1009.00]   Show Hide
Inp 968.80 NIST
Inp 971.00 NIST
Inp 974.20 NIST
Inp 993.40 NIST
Inp 994.10 NIST
Inp 995.60 NIST
Inp 952.00 NIST
Inp 953.00 NIST
Inp 953.00 NIST
Inp 954.00 NIST
Inp 954.00 NIST
Inp 955.00 NIST
Inp 955.00 NIST
Inp 953.00 NIST
Inp 953.00 NIST
Inp 953.00 NIST
Inp 953.00 NIST
Inp 953.00 NIST
Inp 955.00 NIST
Inp 955.00 NIST
Inp 968.00 NIST
Inp 953.00 NIST
Inp 953.00 NIST
Inp 953.00 NIST
Inp 954.00 NIST
Inp 955.00 NIST
Inp 955.00 NIST
Inp 978.00 NIST
Inp 950.00 NIST
Inp 965.00 NIST
Inp Outlier 938.50 NIST
Inp 977.00 NIST
Inp 946.00 NIST
Inp 957.00 NIST
Inp 947.00 NIST
Inp 953.00 NIST
Inp 969.00 NIST
Inp 978.00 NIST
Inp 980.00 NIST
Inp 976.00 NIST
Inp 978.00 NIST
Inp 978.00 NIST
Inp 979.00 NIST
Inp 990.00 NIST
Inp Outlier 1009.00 NIST
Inp 964.00 NIST
Inp 992.00 NIST
Inp 992.00 NIST
Inp 974.00 NIST
Inp 966.00 NIST
Inp 989.40 NIST
Inp 969.00 NIST
Inp 974.00 NIST
Inp 992.00 NIST
Inp 997.00 NIST
Inp 999.00 NIST
Inp 975.00 NIST
Inp 975.00 NIST
Inp 992.00 NIST
Inp 998.00 NIST
Inp 999.00 NIST
Inp 958.00 NIST
Inp 967.00 NIST
Inp 966.00 NIST
Inp 968.00 NIST
Inp 991.00 NIST
Inp 971.00 NIST
Inp 971.00 NIST
Inp 976.00 NIST
Inp 972.00 NIST
Inp 949.00 NIST
Inp 952.00 NIST
Inp 956.00 NIST
Inp 973.00 NIST
Inp 997.00 NIST
Inp 984.00 NIST
Inp 993.00 NIST
Inp 999.00 NIST
Inp 992.00 NIST
Inp 993.00 NIST
Inp 970.00 NIST
Inp 969.00 NIST
Inp 970.00 NIST
Inp 970.00 NIST
Inp 972.00 NIST
Inp 973.00 NIST
Inp 969.00 NIST
Inp 968.00 NIST
Inp 992.00 NIST
Inp 993.00 NIST
Inp 994.00 NIST
Inp 978.00 NIST
Inp 959.00 NIST
Inp 1003.00 NIST
Inp 991.00 NIST
Inp 991.00 NIST
Inp 992.00 NIST
Inp 965.00 NIST
Inp 998.90 NIST
Inp 985.00 NIST
Inp 990.00 NIST
Inp 972.00 NIST
Inp 973.00 NIST
Inp 994.00 NIST
Inp 992.00 NIST
Inp 993.00 NIST
Inp 990.00 NIST
Inp 967.00 NIST
Inp 992.00 NIST
Inp 965.00 NIST
Inp 988.85 NIST
Inp 992.00 NIST
Inp 997.00 NIST
Inp 999.00 NIST
Inp 989.00 NIST
Inp 993.00 NIST
Inp 993.00 NIST
Inp 993.00 NIST
Inp 974.00 NIST
Inp 991.00 NIST
Inp 969.00 NIST
Inp 969.00 NIST
Inp 968.00 NIST
Inp 969.00 NIST
Inp 967.00 NIST
Inp 970.00 NIST
Inp 964.00 NIST
Inp 972.00 NIST
Inp 972.00 NIST
Inp 970.00 NIST
Inp 992.00 NIST
Inp 952.00 NIST
Inp 955.00 NIST
Inp 990.00 NIST
Inp 995.00 NIST
Inp 978.00 NIST
Inp 992.00 NIST
Inp 978.00 NIST
Inp 1002.00 NIST
Inp 999.00 NIST
Inp 977.00 NIST
Inp 962.00 NIST
Inp 994.00 NIST
Inp 947.00 NIST
Inp 969.00 NIST
Inp 987.00 NIST
Inp 972.00 NIST
Inp 963.00 NIST
Inp 992.00 NIST
Inp 992.00 NIST
Inp 994.00 NIST
Inp 990.00 NIST
Inp 991.00 NIST
Inp 968.00 NIST
Inp 994.00 NIST
Inp 990.00 NIST
Inp 990.00 NIST
Inp 947.00 NIST
Inp 969.00 NIST
Inp 991.00 NIST
Inp 974.00 NIST
Inp 979.00 NIST
Inp 966.00 NIST
Inp 974.00 NIST
Inp 991.00 NIST
Inp 991.00 NIST
Inp 992.00 NIST
Inp 1003.00 NIST
Inp 998.90 NIST
Inp 994.00 NIST
Inp 999.00 NIST
Inp 974.00 NIST
Inp 969.00 NIST
Inp 972.00 NIST
I [1262.00; 1323.00]   Show Hide
I 1296.35 NIST
I 1309.62 NIST
I 1304.00 NIST
I 1291.00 NIST
I 1283.00 NIST
I 1283.00 NIST
I 1281.00 NIST
I 1287.00 NIST
I 1269.00 NIST
I 1281.00 NIST
I 1293.00 NIST
I 1314.00 NIST
I 1297.00 NIST
I 1297.00 NIST
I 1294.00 NIST
I 1265.00 NIST
I 1294.00 NIST
I 1278.00 NIST
I 1289.00 NIST
I 1284.00 NIST
I 1288.00 NIST
I 1293.00 NIST
I 1289.00 NIST
I 1290.00 NIST
I 1278.00 NIST
I 1285.00 NIST
I 1280.00 NIST
I 1285.00 NIST
I Outlier 1319.00 NIST
I 1284.00 NIST
I 1291.00 NIST
I 1275.00 NIST
I Outlier 1323.00 NIST
I 1294.00 NIST
I 1275.00 NIST
I 1307.00 NIST
I 1313.00 NIST
I 1279.00 NIST
I 1268.00 NIST
I Outlier 1320.00 NIST
I 1302.00 NIST
I 1303.00 NIST
I 1281.00 NIST
I 1284.00 NIST
I 1278.00 NIST
I 1273.00 NIST
I Outlier 1262.00 NIST
I 1304.00 NIST
I 1294.00 NIST
I 1302.00 NIST
I 1278.00 NIST
I 1280.00 NIST
I 1285.00 NIST
I 1283.00 NIST
I 1275.00 NIST
I 1278.00 NIST
I 1292.00 NIST
I 1295.00 NIST
I 1285.00 NIST
I 1276.00 NIST
I 1304.00 NIST
I 1304.00 NIST
I 1285.00 NIST
I 1295.00 NIST
liquid 373.84 J/mol×K NIST
Tboil 436.31 K Joback Calculated Property
Tc 632.70 ± 0.20 K NIST
Tfus [251.15; 255.48] K Show Hide
Tfus 255.48 K Aq. Sol...
Tfus 253.40 K Vapour ...
Tfus 251.60 ± 0.40 K NIST
Tfus 251.15 ± 0.50 K NIST
Ttriple [252.79; 252.86] K Show Hide
Ttriple 252.79 ± 0.08 K NIST
Ttriple 252.86 ± 0.06 K NIST
Vc 0.489 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [255.50; 323.31] J/mol×K [436.31; 611.72] Show Hide
Cp,gas 255.50 J/mol×K 436.31 Joback Calculated Property
Cp,gas 267.99 J/mol×K 465.55 Joback Calculated Property
Cp,gas 280.00 J/mol×K 494.78 Joback Calculated Property
Cp,gas 291.52 J/mol×K 524.02 Joback Calculated Property
Cp,gas 302.57 J/mol×K 553.25 Joback Calculated Property
Cp,gas 313.17 J/mol×K 582.49 Joback Calculated Property
Cp,gas 323.31 J/mol×K 611.72 Joback Calculated Property
Cp,liquid [273.26; 274.50] J/mol×K [298.00; 298.15] Show Hide
Cp,liquid 274.50 J/mol×K 298.00 NIST
Cp,liquid 273.26 J/mol×K 298.15 NIST
η [0.0002948; 0.0043730] Pa×s [229.85; 436.31] Show Hide
η 0.0043730 Pa×s 229.85 Joback Calculated Property
η 0.0020821 Pa×s 264.26 Joback Calculated Property
η 0.0011762 Pa×s 298.67 Joback Calculated Property
η 0.0007477 Pa×s 333.08 Joback Calculated Property
η 0.0005173 Pa×s 367.49 Joback Calculated Property
η 0.0003813 Pa×s 401.90 Joback Calculated Property
η 0.0002948 Pa×s 436.31 Joback Calculated Property
ΔfusH [24.42; 24.42] kJ/mol [252.86; 252.90] Show Hide
ΔfusH 24.42 kJ/mol 252.86 NIST
ΔfusH 24.42 kJ/mol 252.86 NIST
ΔfusH 24.42 kJ/mol 252.90 NIST
ΔvapH [49.10; 50.60] kJ/mol [371.00; 422.00] Show Hide
ΔvapH 50.60 kJ/mol 371.00 NIST
ΔvapH 49.80 kJ/mol 381.50 NIST
ΔvapH 49.10 kJ/mol 422.00 NIST
ρl [814.28; 819.90] kg/m3 [293.15; 298.15] Show Hide
ρl 819.90 kg/m3 293.15 Correla...
ρl 814.32 kg/m3 298.15 Excess ...
ρl 814.28 kg/m3 298.15 Excess ...
ΔfusS 96.57 J/mol×K 252.86 NIST

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.63] kPa [334.42; 473.05] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.50683e+01
Coefficient B-3.97956e+03
Coefficient C-6.51800e+01
Temperature range, min.334.42
Temperature range, max.473.05
Pvap 1.33 kPa 334.42 Calculated Property
Pvap 2.97 kPa 349.82 Calculated Property
Pvap 6.08 kPa 365.23 Calculated Property
Pvap 11.62 kPa 380.63 Calculated Property
Pvap 20.91 kPa 396.03 Calculated Property
Pvap 35.70 kPa 411.44 Calculated Property
Pvap 58.25 kPa 426.84 Calculated Property
Pvap 91.31 kPa 442.24 Calculated Property
Pvap 138.16 kPa 457.65 Calculated Property
Pvap 202.63 kPa 473.05 Calculated Property
Pvap [6.79e-04; 2691.64] kPa [252.85; 624.00] KDB Vap... Show Hide
Equationln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A2.12914e+02
Coefficient B-1.52457e+04
Coefficient C-2.91025e+01
Coefficient D1.72689e-05
Temperature range, min.252.85
Temperature range, max.624.00
Pvap 6.79e-04 kPa 252.85 Calculated Property
Pvap 0.06 kPa 294.09 Calculated Property
Pvap 1.17 kPa 335.33 Calculated Property
Pvap 9.65 kPa 376.57 Calculated Property
Pvap 44.91 kPa 417.81 Calculated Property
Pvap 143.70 kPa 459.04 Calculated Property
Pvap 359.59 kPa 500.28 Calculated Property
Pvap 766.94 kPa 541.52 Calculated Property
Pvap 1479.42 kPa 582.76 Calculated Property
Pvap 2691.64 kPa 624.00 Calculated Property

Similar Compounds

2-Eicosanone. 2-Nonanone. Undecanone. 2-Decanone. Methyl n-hexadecyl ketone. 2-Heptadecanone. 2-Heneicosanone. Tridecanone-. 2-Hexadecanone. 2-Nonadecanone. 2-Tridecanone. 2-Pentadecanone. 2-Tricosanone. 2-Docosanone. 2-Undecanone.

Find more compounds similar to 2-Octanone.

Mixtures

Sources

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