- InChI
- InChI=1S/C5H10O/c1-4(2)5(3)6/h4H,1-3H3
- InChI Key
- SYBYTAAJFKOIEJ-UHFFFAOYSA-N
- Formula
- C5H10O
- SMILES
- CC(=O)C(C)C
- Molecular Weight1
- 86.13
- CAS
- 563-80-4
- Other Names
-
- 2-Acetylpropane
- 2-Methylbutan-3-one
- 3-Methyl-2-butanoate
- 3-Methylbutan-2-one
- 3-methyl-2-butanone
- 3-methylbutanone
- Isopropyl methyl ketone
- Ketone, isopropyl methyl
- MIPK
- Methyl butanone-2
- NSC 9379
- UN 2397
- iso-C3H7COCH3
- methyl isopropyl ketone
- methylbutanone
- ω : Acentric Factor.
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- 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).
- μ : Dipole Moment (debye).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°liquid : Liquid phase 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).
- n0 : Refractive Index.
- 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).
- Zc : Critical Compressibility.
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.3310 | KDB | |
| PAff | 836.30 | kJ/mol | NIST |
| BasG | 804.40 | kJ/mol | NIST |
| ΔcH°liquid | -3097.20 ± 0.80 | kJ/mol | NIST |
| μ | 2.80 | debye | KDB |
| ΔfG° | -140.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -262.57 ± 0.87 | kJ/mol | NIST |
| ΔfH°liquid | -299.47 ± 0.86 | kJ/mol | NIST |
| ΔfusH° | 6.78 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [36.80; 36.90] | kJ/mol |
|
| ΔvapH° | 36.87 | kJ/mol | NIST |
| ΔvapH° | 36.81 | kJ/mol | NIST |
| ΔvapH° | 36.80 | kJ/mol | NIST |
| ΔvapH° | 36.90 | kJ/mol | NIST |
| IE | [9.30; 9.36] | eV |
|
| IE | 9.31 ± 0.02 | eV | NIST |
| IE | 9.30 ± 0.01 | eV | NIST |
| IE | 9.30 ± 0.01 | eV | NIST |
| IE | 9.30 ± 0.04 | eV | NIST |
| IE | Outlier 9.36 | eV | NIST |
| IE | 9.30 ± 0.01 | eV | NIST |
| IE | 9.30 ± 0.02 | eV | NIST |
| IE | 9.32 ± 0.02 | eV | NIST |
| log10WS | [-0.12; -0.12] |
|
|
| log10WS | -0.12 | Aq. Solubility Prediction | |
| log10WS | -0.12 | Estimated Solubility | |
| logPoct/wat | 1.231 | Crippen Calculated Property | |
| McVol | 82.880 | ml/mol | McGowan Calculated Property |
| Pc | [3800.00; 3850.00] | kPa |
|
| Pc | 3850.00 | kPa | KDB |
| Pc | 3800.00 ± 20.00 | kPa | NIST |
| Pc | 3850.00 ± 48.30 | kPa | NIST |
| ρc | 278.21 ± 24.98 | kg/m3 | NIST |
| Inp | [625.00; 673.00] |
|
|
| Inp | 640.90 | NIST | |
| Inp | 642.78 | NIST | |
| Inp | 639.36 | NIST | |
| Inp | 639.89 | NIST | |
| Inp | 640.49 | NIST | |
| Inp | 641.53 | NIST | |
| Inp | 643.00 | NIST | |
| Inp | 640.00 | NIST | |
| Inp | 640.00 | NIST | |
| Inp | 642.00 | NIST | |
| Inp | 646.00 | NIST | |
| Inp | 627.00 | NIST | |
| Inp | 650.00 | NIST | |
| Inp | 647.20 | NIST | |
| Inp | 636.00 | NIST | |
| Inp | Outlier 673.00 | NIST | |
| Inp | 640.00 | NIST | |
| Inp | 625.00 | NIST | |
| Inp | 641.00 | NIST | |
| Inp | 657.00 | NIST | |
| Inp | Outlier 666.10 | NIST | |
| Inp | 628.00 | NIST | |
| Inp | 638.00 | NIST | |
| Inp | 659.00 | NIST | |
| Inp | 654.00 | NIST | |
| Inp | 628.00 | NIST | |
| Inp | 639.00 | NIST | |
| Inp | 637.00 | NIST | |
| Inp | 658.00 | NIST | |
| Inp | 641.00 | NIST | |
| Inp | 653.00 | NIST | |
| Inp | 640.00 | NIST | |
| Inp | 640.00 | NIST | |
| Inp | 641.00 | NIST | |
| Inp | 642.00 | NIST | |
| Inp | 641.00 | NIST | |
| Inp | 635.00 | NIST | |
| Inp | 636.00 | NIST | |
| Inp | 642.00 | NIST | |
| Inp | 650.00 | NIST | |
| Inp | 647.00 | NIST | |
| Inp | 651.00 | NIST | |
| Inp | 650.00 | NIST | |
| Inp | 640.90 | NIST | |
| Inp | 641.53 | NIST | |
| Inp | 646.00 | NIST | |
| Inp | 640.00 | NIST | |
| Inp | Outlier 673.00 | NIST | |
| Inp | 641.00 | NIST | |
| Inp | 659.00 | NIST | |
| Inp | 658.00 | NIST | |
| Inp | 642.00 | NIST | |
| Inp | 650.00 | NIST | |
| I | [918.00; 989.00] |
|
|
| I | 965.00 | NIST | |
| I | 949.40 | NIST | |
| I | 954.40 | NIST | |
| I | 959.60 | NIST | |
| I | 943.20 | NIST | |
| I | 929.00 | NIST | |
| I | 936.00 | NIST | |
| I | 929.00 | NIST | |
| I | 929.00 | NIST | |
| I | 918.00 | NIST | |
| I | 929.00 | NIST | |
| I | 925.00 | NIST | |
| I | 927.00 | NIST | |
| I | Outlier 989.00 | NIST | |
| I | 956.00 | NIST | |
| I | 929.00 | NIST | |
| I | 929.00 | NIST | |
| I | 970.00 | NIST | |
| I | 949.00 | NIST | |
| I | 936.00 | NIST | |
| I | 965.00 | NIST | |
| I | 929.00 | NIST | |
| I | 918.00 | NIST | |
| S°liquid | 268.50 | J/mol×K | NIST |
| Tboil | [365.15; 389.50] | K |
|
| Tboil | 367.48 | K | KDB |
| Tboil | 367.70 | K | NIST |
| Tboil | 367.40 | K | NIST |
| Tboil | Outlier 389.50 ± 0.30 | K | NIST |
| Tboil | 368.30 ± 0.60 | K | NIST |
| Tboil | 368.00 ± 0.40 | K | NIST |
| Tboil | 366.65 ± 1.00 | K | NIST |
| Tboil | 367.15 ± 1.00 | K | NIST |
| Tboil | 367.65 ± 1.00 | K | NIST |
| Tboil | 367.35 ± 0.50 | K | NIST |
| Tboil | 367.65 ± 1.00 | K | NIST |
| Tboil | 367.90 ± 0.50 | K | NIST |
| Tboil | 366.15 ± 2.00 | K | NIST |
| Tboil | 367.35 ± 0.50 | K | NIST |
| Tboil | 368.55 ± 2.00 | K | NIST |
| Tboil | 365.65 ± 2.00 | K | NIST |
| Tboil | 368.60 ± 0.50 | K | NIST |
| Tboil | 368.15 ± 2.00 | K | NIST |
| Tboil | 366.70 ± 0.50 | K | NIST |
| Tboil | 367.41 ± 0.50 | K | NIST |
| Tboil | 365.15 ± 5.00 | K | NIST |
| Tboil | 367.30 ± 1.00 | K | NIST |
| Tboil | 366.15 ± 1.00 | K | NIST |
| Tboil | 366.65 ± 2.00 | K | NIST |
| Tboil | 365.65 ± 5.00 | K | NIST |
| Tboil | 366.65 ± 1.00 | K | NIST |
| Tboil | 366.65 ± 1.00 | K | NIST |
| Tboil | 368.15 ± 2.00 | K | NIST |
| Tboil | 365.15 ± 2.00 | K | NIST |
| Tboil | 366.65 ± 1.00 | K | NIST |
| Tboil | 368.65 ± 1.00 | K | NIST |
| Tboil | 367.65 ± 2.00 | K | NIST |
| Tboil | 368.30 ± 2.00 | K | NIST |
| Tboil | 367.15 ± 1.00 | K | NIST |
| Tboil | 367.65 ± 2.00 | K | NIST |
| Tboil | 366.15 ± 1.00 | K | NIST |
| Tboil | 366.65 ± 1.00 | K | NIST |
| Tboil | 365.55 ± 0.30 | K | NIST |
| Tboil | 367.65 ± 2.00 | K | NIST |
| Tboil | 366.65 ± 1.00 | K | NIST |
| Tboil | 366.65 ± 1.00 | K | NIST |
| Tboil | 366.65 ± 1.00 | K | NIST |
| Tc | [553.10; 553.40] | K |
|
| Tc | 553.40 | K | KDB |
| Tc | 553.10 ± 0.40 | K | NIST |
| Tc | 553.40 | K | NIST |
| Tc | 553.40 ± 0.83 | K | NIST |
| Tfus | [178.75; 181.15] | K |
|
| Tfus | 181.00 | K | KDB |
| Tfus | 180.78 | K | Aq. Solubility Prediction |
| Tfus | 178.75 ± 0.40 | K | NIST |
| Tfus | 181.15 ± 0.60 | K | NIST |
| Ttriple | [180.01; 180.01] | K |
|
| Ttriple | 180.01 ± 0.06 | K | NIST |
| Ttriple | 180.01 ± 0.06 | K | NIST |
| Vc | 0.310 | m3/kmol | KDB |
| Zc | 0.2593860 | KDB |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [139.58; 172.09] | J/mol×K | [358.15; 473.15] |
|
| Cp,gas | 139.58 | J/mol×K | 358.15 | NIST |
| Cp,gas | 146.82 | J/mol×K | 383.15 | NIST |
| Cp,gas | 154.26 | J/mol×K | 408.15 | NIST |
| Cp,gas | 161.25 | J/mol×K | 433.15 | NIST |
| Cp,gas | 166.77 | J/mol×K | 453.15 | NIST |
| Cp,gas | 172.09 | J/mol×K | 473.15 | NIST |
| Cp,liquid | [179.90; 180.00] | J/mol×K | [298.15; 298.15] |
|
| Cp,liquid | 180.00 | J/mol×K | 298.15 | NIST |
| Cp,liquid | 179.90 | J/mol×K | 298.15 | NIST |
| η | [0.0002839; 0.0056166] | Pa×s | [181.04; 367.43] |
|
| η | 0.0056166 | Pa×s | 181.04 | Joback Calculated Property |
| η | 0.0023725 | Pa×s | 212.11 | Joback Calculated Property |
| η | 0.0012490 | Pa×s | 243.17 | Joback Calculated Property |
| η | 0.0007604 | Pa×s | 274.24 | Joback Calculated Property |
| η | 0.0005121 | Pa×s | 305.30 | Joback Calculated Property |
| η | 0.0003711 | Pa×s | 336.37 | Joback Calculated Property |
| η | 0.0002839 | Pa×s | 367.43 | Joback Calculated Property |
| ΔfusH | [9.34; 9.34] | kJ/mol | [180.00; 180.01] |
|
| ΔfusH | 9.34 | kJ/mol | 180.00 | NIST |
| ΔfusH | 9.34 | kJ/mol | 180.00 | NIST |
| ΔfusH | 9.34 | kJ/mol | 180.01 | NIST |
| ΔfusH | 9.34 | kJ/mol | 180.01 | NIST |
| ΔvapH | [32.30; 35.50] | kJ/mol | [327.00; 452.50] |
|
| ΔvapH | 35.00 ± 0.10 | kJ/mol | 327.00 | NIST |
| ΔvapH | 35.50 | kJ/mol | 340.00 | NIST |
| ΔvapH | 33.80 ± 0.10 | kJ/mol | 346.00 | NIST |
| ΔvapH | 35.00 | kJ/mol | 352.50 | NIST |
| ΔvapH | 32.30 ± 0.10 | kJ/mol | 367.00 | NIST |
| ΔvapH | 32.35 | kJ/mol | 367.40 | NIST |
| ΔvapH | 33.80 | kJ/mol | 389.00 | NIST |
| ΔvapH | 32.60 | kJ/mol | 452.50 | NIST |
| n0 | [1.38620; 1.38840] | [293.15; 298.15] |
|
|
| n0 | 1.38840 | 293.15 | Distribution of Butyric Acid between Water and Several Solvents | |
| n0 | 1.38620 | 298.15 | Isothermal vapour liquid equilibria in the binary and ternary systems composed of 2-propanol, 3-methyl-2-butanone and 2,2,4-trimethylpentane | |
| n0 | 1.38620 | 298.15 | Vapor-Liquid Equilibria in the Binary and Ternary Systems Composed of 2-Methylpentane, 3-Methyl-2-butanone and 3-Methyl-2-butanol | |
| ρl | [778.62; 808.30] | kg/m3 | [288.15; 318.15] |
|
| ρl | 808.30 | kg/m3 | 288.15 | Thermal and Volumetric Properties of Some C5 and C6 Alkanones at Infinite Dilution in Water |
| ρl | 803.00 | kg/m3 | 293.00 | KDB |
| ρl | 799.55 | kg/m3 | 298.15 | Vapour-liquid equilibria in binary and ternary systems composed of 2,3-dimethylbutane, diisopropyl ether, and 3-methyl-2-butanone at 313.15, 323.15 and 313.15 K |
| ρl | 800.63 | kg/m3 | 298.15 | Liquid-liquid equilibria for the pseudo-ternary system {aqueous sulfuric acid solution + methyl ethyl ketone or methyl isopropyl ketone + phosphonium-based ionic liquids} at 298.15 K and atmospheric pressure |
| ρl | 798.51 | kg/m3 | 298.15 | Thermal and Volumetric Properties of Some C5 and C6 Alkanones at Infinite Dilution in Water |
| ρl | 788.60 | kg/m3 | 308.15 | Thermal and Volumetric Properties of Some C5 and C6 Alkanones at Infinite Dilution in Water |
| ρl | 778.62 | kg/m3 | 318.15 | Thermal and Volumetric Properties of Some C5 and C6 Alkanones at Infinite Dilution in Water |
| ΔfusS | [51.90; 51.90] | J/mol×K | [180.01; 180.01] |
|
| ΔfusS | 51.90 | J/mol×K | 180.01 | NIST |
| ΔfusS | 51.90 | J/mol×K | 180.01 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [273.22; 390.44] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.42556e+01 | |||
| Coefficient B | -2.91500e+03 | |||
| Coefficient C | -6.45290e+01 | |||
| Temperature range, min. | 273.22 | |||
| Temperature range, max. | 390.44 | |||
| Pvap | 1.33 | kPa | 273.22 | Calculated Property |
| Pvap | 3.03 | kPa | 286.24 | Calculated Property |
| Pvap | 6.28 | kPa | 299.27 | Calculated Property |
| Pvap | 12.07 | kPa | 312.29 | Calculated Property |
| Pvap | 21.71 | kPa | 325.32 | Calculated Property |
| Pvap | 36.95 | kPa | 338.34 | Calculated Property |
| Pvap | 59.92 | kPa | 351.37 | Calculated Property |
| Pvap | 93.18 | kPa | 364.39 | Calculated Property |
| Pvap | 139.65 | kPa | 377.42 | Calculated Property |
| Pvap | 202.64 | kPa | 390.44 | Calculated Property |
| Pvap | [2.35e-05; 3934.08] | kPa | [181.15; 553.00] |
KDB Vapor Pressure Data
|
| Equation | ln(Y) = A + B/T + C·ln(T) + D·T² + E/T² Y is Pvap in kPa, T in K | |||
| Coefficient A | 2.01851e+02 | |||
| Coefficient B | -1.16914e+04 | |||
| Coefficient C | -2.86327e+01 | |||
| Coefficient D | 2.74487e-05 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 181.15 | |||
| Temperature range, max. | 553.00 | |||
| Pvap | 2.35e-05 | kPa | 181.15 | Calculated Property |
| Pvap | 0.02 | kPa | 222.47 | Calculated Property |
| Pvap | 0.83 | kPa | 263.78 | Calculated Property |
| Pvap | 9.86 | kPa | 305.10 | Calculated Property |
| Pvap | 52.54 | kPa | 346.42 | Calculated Property |
| Pvap | 174.91 | kPa | 387.73 | Calculated Property |
| Pvap | 443.66 | kPa | 429.05 | Calculated Property |
| Pvap | 968.92 | kPa | 470.37 | Calculated Property |
| Pvap | 1970.91 | kPa | 511.68 | Calculated Property |
| Pvap | 3934.08 | kPa | 553.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Butanone, 3-methyl-.
Mixtures
- 2-Butanone, 3-methyl- + Butane, 2,3-dimethyl-
- Diisopropyl ether + 2-Butanone, 3-methyl-
- Diisopropyl ether + 2-Butanone, 3-methyl- + Butane, 2,3-dimethyl-
- 2-Butanone, 3-methyl- + Hydroquinone + Water
- Resorcinol + 2-Butanone, 3-methyl- + Water
- 2-Butanone, 3-methyl- + Propanoic acid + Water
- 2-Butanone, 3-methyl- + Phenol + Water
- Phenol, 2-methyl- + 2-Butanone, 3-methyl- + Water
- 2-Butanone, 3-methyl- + Phenol, 3-methyl- + Water
- PHENOL, 4-METHYL- + 2-Butanone, 3-methyl- + Water
- 2-Butanone, 3-methyl- + Water
- 2-Butanone, 3-methyl- + 1,2-Benzenediol + Water
- 2-Butanone, 3-methyl- + 2-Propanol
- 2-Butanone, 3-methyl- + Pentane, 2,2,4-trimethyl-
- 2-Butanone, 3-methyl- + 2-Propanol + Pentane, 2,2,4-trimethyl-
- 2-Butanone, 3-methyl- + Pentane, 2-methyl-
- 2-Butanone, 3-methyl- + 2-Butanol, 3-methyl-
- 2-Butanone, 3-methyl- + Pentane, 2-methyl- + 2-Butanol, 3-methyl-
Sources
- KDB Vapor Pressure Data
- Crippen Method
- Isothermal vapour liquid equilibria in the binary and ternary systems composed of 2-propanol, 3-methyl-2-butanone and 2,2,4-trimethylpentane
- Vapour-liquid equilibria in binary and ternary systems composed of 2,3-dimethylbutane, diisopropyl ether, and 3-methyl-2-butanone at 313.15, 323.15 and 313.15 K
- Liquid-liquid equilibria for the pseudo-ternary system {aqueous sulfuric acid solution + methyl ethyl ketone or methyl isopropyl ketone + phosphonium-based ionic liquids} at 298.15 K and atmospheric pressure
- Activity coefficients at infinite dilution for different alcohols and ketones in [EMpy][ESO4]: Experimental data and modeling with PC-SAFT
- Determination and modeling of liquid-liquid equilibrium for ternary mixtures of methyl isopropyl ketone, cresol isomers and water
- Ternary liquid-liquid equilibria for methyl isopropyl ketone + (resorcinol or hydroquinone) + water systems at different temperatures
- Screening solvents to extract phenol from aqueous solutions by the COSMO-SAC model and extraction process simulation
- Salting-out effect of NaCl and KCl on the ternary LLE data for the systems of (water + propionic acid + isopropyl methyl ketone) and of (water + propionic acid + isobutyl methyl ketone)
- Extraction of o-, m- and p-cresol from aqueous solution with methyl isopropyl ketone: Equilibrium, correlations, and COSMO-RS predictions
- Experimental result and data correlation of liquid-liquid equilibrium for methyl isopropyl ketone + o, m, p-dihydroxybenzene + water at 333.15 K, 343.15 K and 353.15 K
- Experimental Determination and Correlation of Liquid Liquid Equilibria for Methyl Isopropyl Ketone + Phenol + Water Mixtures at 298.15, 313.15, and 323.15 K
- Thermal and Volumetric Properties of Some C5 and C6 Alkanones at Infinite Dilution in Water
- Air-Water Partitioning of C5 and C6 Alkanones: Measurement, Critical Compilation, Correlation, and Recommended Data
- Vapor-Liquid Equilibria in the Binary and Ternary Systems Composed of 2-Methylpentane, 3-Methyl-2-butanone and 3-Methyl-2-butanol
- Determination of Partitioning Coefficients of Numerous Organic Solutes between a Long-Chain Aliphatic Alcohol and the Gas Phase as a Function of Temperature
- Distribution of Butyric Acid between Water and Several Solvents
- Joback Method
- KDB
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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