- 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
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,liquid : Liquid phase heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Pvap : Vapor pressure (kPa).
- ρc : Critical density (kg/m3).
- ρl : Liquid Density (kg/m3).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- ΔfusS : Entropy of fusion at a given temperature (J/mol×K).
- S°liquid : Liquid phase molar entropy at standard conditions (J/mol×K).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Ttriple : Triple Point Temperature (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔcH°liquid | [-5070.20; -5050.13] | kJ/mol |
|
| ΔcH°liquid | -5050.13 | kJ/mol | NIST |
| ΔcH°liquid | -5070.20 | kJ/mol | NIST |
| ΔfG° | -112.44 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -345.10 ± 2.50 | kJ/mol | NIST |
| ΔfusH° | 18.07 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [39.80; 52.60] | kJ/mol |
|
| ΔvapH° | 52.60 | kJ/mol | NIST |
| ΔvapH° | 52.00 ± 0.30 | kJ/mol | NIST |
| ΔvapH° | 51.80 | kJ/mol | NIST |
| ΔvapH° | 39.80 ± 0.20 | kJ/mol | NIST |
| IE | [9.38; 9.75] | eV |
|
| IE | 9.75 | eV | NIST |
| IE | 9.40 ± 0.03 | eV | NIST |
| IE | 9.38 | eV | NIST |
| log10WS | [-2.05; -2.05] |
|
|
| 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] |
|
|
| 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] |
|
|
| 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 | |
| S°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 |
|
| 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 |
|
| 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] |
|
|
T(K) Ideal gas heat capacity (J/mol×K) 260 280 300 320 450 500 550 600 | ||||
| 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] |
|
| 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] |
|
|
T(K) Dynamic viscosity (Pa×s) 0 1.00e-3 2.00e-3 3.00e-3 4.00e-3 250 300 350 400 | ||||
| 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] |
|
| 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] |
|
| 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] |
|
| 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...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.50683e+01 | |||
| Coefficient B | -3.97956e+03 | |||
| Coefficient C | -6.51800e+01 | |||
| Temperature range, min. | 334.42 | |||
| Temperature range, max. | 473.05 | |||
|
T(K) Vapor pressure (kPa) 0 50 100 150 200 350 400 450 | ||||
| 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...
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 2.12914e+02 | |||
| Coefficient B | -1.52457e+04 | |||
| Coefficient C | -2.91025e+01 | |||
| Coefficient D | 1.72689e-05 | |||
| Temperature range, min. | 252.85 | |||
| Temperature range, max. | 624.00 | |||
|
T(K) Vapor pressure (kPa) 0 500 1000 1500 2000 2500 300 400 500 600 | ||||
| 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
Find more compounds similar to 2-Octanone.
Mixtures
- 2-Octanone + 1-Hexanol
- 2-Octanone + Methyl Alcohol
- Ethanol + 2-Octanone
- 1-Propanol + 2-Octanone
- 2-Octanone + 1-Butanol
- 2-Octanone + 1-Octanol
- 2-Octanone + Propanoic acid + Water
- 2-Octanone + Water
- 2-Octanone + Naphthalene
- Dodecane + 2-Octanone
- 2-Octanone + Tetradecane
- Hexadecane + 2-Octanone
- 1,2-Benzenediol + 2-Octanone + Water
- Resorcinol + 2-Octanone + Water
- 2-Octanone + Hydroquinone + Water
Sources
- KDB Vapor Pressure Data
- Crippen Method
- Vapour liquid equilibria, azeotropic data, excess enthalpies, activity coefficients at infinite dilution and solid liquid equilibria for binary alcohol ketone systems
- A thermodynamic study of the ketoreductase-catalyzed reduction of 2-alkanones in non-aqueous solvents
- Excess molar enthalpies of binary systems containing 2-octanone, hexanoic acid, or octanoic acid at T = 298.15 K
- Correlation of Experimental Liquid Liquid Equilibrium Data for Ternary Systems Using NRTL and GMDH-Type Neural Network
- Thermodynamic Studies of Solubility for Naphthalene in 12 Solvents from 279 to 330 K
- Parametric Analysis of Mandelic Acid Separation from Aqueous Solutions by Using Secondary Amine Mixture (Amberlite LA-2) in Various Diluents
- Liquid Liquid Equilibria for Octan-2-one + Dihydroxybenzene + Water at Different Temperatures: Experimental Data and Thermodynamic Modeling
- Excess Molar Enthalpies of Binary Systems of 2-Octanone or 3-Octanone with Dodecane, Tetradecane, or Hexadecane at 298.15 K
- Joback Method
- KDB
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
Take the time to validate and double check the source of the data.
Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.