- 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).
- Tflash,cc : Flash Point (Closed Cup Method) (K).
- 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).
- Ptriple : Triple Point Pressure (kPa).
- Pvap : Vapor pressure (kPa).
- n0 : Refractive Index.
- ρc : Critical density (kg/m3).
- ρl : Liquid Density (kg/m3).
- Inp : Non-polar retention indices.
- Ip : 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).
- γ : Surface Tension (N/m).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- λgas : Gas thermal conductivity (W/m×K).
- λliquid : Liquid thermal conductivity (W/m×K).
- Tfus : Normal melting (fusion) point (K).
- Ttriple : Triple Point Temperature (K).
- UQi : UNIQUAC Qi Parameter.
- URi : UNIQUAC Ri Parameter.
- Vc : Critical Volume (m3/kmol).
- Zc : Critical Compressibility.
- Zra : Rackett Parameter.
- 1: Molecular weight from the IUPAC atomic weights tables.
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry.
Do not hesitate to contact us for your projects.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | [0.2160; 0.3310] |
|
|
| ω | 0.3244 | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value | |
| ω | 0.2160 | ChemSep v8.3 pure component data Compiled value | |
| 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 | [2.76; 2.80] | debye |
|
| μ | 2.76 | debye | ChemSep v8.3 pure component data Compiled value |
| μ | 2.80 | debye | KDB |
| Tflash,cc | 279.15 | K | NCMS SOLV-DB |
| ΔfG° | -139.30 | kJ/mol | ChemSep v8.3 pure component data Compiled value |
| ΔfH°gas | [-262.60; -262.57] | kJ/mol |
|
| ΔfH°gas | -262.60 | kJ/mol | ChemSep v8.3 pure component data Compiled value |
| 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 | 0.570 | NCMS SOLV-DB | |
| McVol | 82.880 | ml/mol | McGowan Calculated Property |
| Pc | [3620.00; 3850.35] | kPa |
|
| Pc | 3800.00 | kPa | IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 7 Compiled value |
| Pc | 3850.35 | kPa | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value |
| Pc | Outlier 3620.00 | kPa | ChemSep v8.3 pure component data Compiled value |
| Pc | 3850.00 | kPa | KDB |
| Pc | 3800.00 ± 20.00 | kPa | NIST |
| Pc | 3850.00 ± 48.30 | kPa | NIST |
| Ptriple | 2.95e-04 | kPa | ChemSep v8.3 pure component data Compiled value |
| 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 | |
| Ip | [918.00; 989.00] |
|
|
| Ip | 965.00 | NIST | |
| Ip | 949.40 | NIST | |
| Ip | 954.40 | NIST | |
| Ip | 959.60 | NIST | |
| Ip | 943.20 | NIST | |
| Ip | 929.00 | NIST | |
| Ip | 936.00 | NIST | |
| Ip | 929.00 | NIST | |
| Ip | 929.00 | NIST | |
| Ip | 918.00 | NIST | |
| Ip | 929.00 | NIST | |
| Ip | 925.00 | NIST | |
| Ip | 927.00 | NIST | |
| Ip | Outlier 989.00 | NIST | |
| Ip | 956.00 | NIST | |
| Ip | 929.00 | NIST | |
| Ip | 929.00 | NIST | |
| Ip | 970.00 | NIST | |
| Ip | 949.00 | NIST | |
| Ip | 936.00 | NIST | |
| Ip | 965.00 | NIST | |
| Ip | 929.00 | NIST | |
| Ip | 918.00 | NIST | |
| S°liquid | 268.50 | J/mol×K | NIST |
| Tboil | [365.15; 389.50] | K |
|
| Tboil | 367.55 | K | ChemSep v8.3 pure component data Compiled value |
| Tboil | 367.48 | K | KDB |
| Tboil | 367.15 | K | NCMS SOLV-DB |
| 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 | [552.80; 567.70] | K |
|
| Tc | 553.00 | K | IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 7 Compiled value |
| Tc | 552.80 | K | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value |
| Tc | Outlier 567.70 | K | ChemSep v8.3 pure component data Compiled value |
| 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 | 181.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Tfus | 180.15 | K | ChemSep v8.3 pure component data Compiled value |
| Tfus | 181.00 | K | KDB |
| Tfus | 180.78 | K | Aq. Solubility Prediction |
| Tfus | 181.15 | K | NCMS SOLV-DB |
| Tfus | Outlier 178.75 ± 0.40 | K | NIST |
| Tfus | 181.15 ± 0.60 | K | NIST |
| Ttriple | [180.01; 180.15] | K |
|
| Ttriple | 180.15 | K | ChemSep v8.3 pure component data Compiled value |
| Ttriple | 180.01 ± 0.06 | K | NIST |
| Ttriple | 180.01 ± 0.06 | K | NIST |
| UQi | 3.41 | ChemSep v8.3 pure component data Compiled value | |
| URi | 3.92 | ChemSep v8.3 pure component data Compiled value | |
| Vc | [0.308; 0.310] | m3/kmol |
|
| Vc | 0.308 | m3/kmol | IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 7 Compiled value |
| Vc | 0.310 | m3/kmol | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value |
| Vc | 0.310 | m3/kmol | ChemSep v8.3 pure component data Compiled value |
| Vc | 0.310 | m3/kmol | KDB |
| Zc | [0.2380000; 0.2593860] |
|
|
| Zc | 0.2550000 | IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 7 Compiled value | |
| Zc | 0.2380000 | ChemSep v8.3 pure component data Compiled value | |
| Zc | 0.2593860 | KDB | |
| Zra | 0.26 | ChemSep v8.3 pure component data Compiled value |
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 | 0.0004300 | Pa×s | 298.15 | NCMS SOLV-DB |
| 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 |
| Pvap | 6.96 | kPa | 298.15 | NCMS SOLV-DB |
| 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 | |
| n0 | 1.38800 | 298.15 | NCMS SOLV-DB | |
| 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 |
| γ | 0.02 | N/m | 298.15 | NCMS SOLV-DB |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [82.52; 299.42] | J/mol×K | [200.00; 1500.00] |
ChemSep v8.3 pure component data Compiled value
|
| Equation | Y = A + exp(B/T + C + D·T + E·T²) Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 6.58990e+01 | |||
| Coefficient B | -6.28390e+02 | |||
| Coefficient C | 5.95024e+00 | |||
| Coefficient D | 2.33310e-05 | |||
| Coefficient E | -5.02460e-08 | |||
| Temperature range, min. | 200.00 | |||
| Temperature range, max. | 1500.00 | |||
| Cp,gas | 82.52 | J/mol×K | 200.00 | Calculated Property |
| Cp,gas | 127.95 | J/mol×K | 344.44 | Calculated Property |
| Cp,gas | 171.99 | J/mol×K | 488.89 | Calculated Property |
| Cp,gas | 207.45 | J/mol×K | 633.33 | Calculated Property |
| Cp,gas | 234.93 | J/mol×K | 777.78 | Calculated Property |
| Cp,gas | 256.02 | J/mol×K | 922.22 | Calculated Property |
| Cp,gas | 272.10 | J/mol×K | 1066.67 | Calculated Property |
| Cp,gas | 284.22 | J/mol×K | 1211.11 | Calculated Property |
| Cp,gas | 293.13 | J/mol×K | 1355.56 | Calculated Property |
| Cp,gas | 299.42 | J/mol×K | 1500.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,liquid | [163.38; 236.05] | J/mol×K | [180.15; 440.00] |
ChemSep v8.3 pure component data Compiled value
|
| Equation | Y = A + exp(B/T + C + D·T + E·T²) Y is Cp,liquid in J/mol×K, T in K | |||
| Coefficient A | 1.42840e+02 | |||
| Coefficient B | 4.63870e+02 | |||
| Coefficient C | -2.76386e+00 | |||
| Coefficient D | 2.03470e-02 | |||
| Coefficient E | -1.39890e-05 | |||
| Temperature range, min. | 180.15 | |||
| Temperature range, max. | 440.00 | |||
| Cp,liquid | 163.38 | J/mol×K | 180.15 | Calculated Property |
| Cp,liquid | 164.98 | J/mol×K | 209.02 | Calculated Property |
| Cp,liquid | 168.24 | J/mol×K | 237.89 | Calculated Property |
| Cp,liquid | 173.03 | J/mol×K | 266.77 | Calculated Property |
| Cp,liquid | 179.36 | J/mol×K | 295.64 | Calculated Property |
| Cp,liquid | 187.33 | J/mol×K | 324.51 | Calculated Property |
| Cp,liquid | 197.01 | J/mol×K | 353.38 | Calculated Property |
| Cp,liquid | 208.42 | J/mol×K | 382.26 | Calculated Property |
| Cp,liquid | 221.50 | J/mol×K | 411.13 | Calculated Property |
| Cp,liquid | 236.05 | J/mol×K | 440.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0043064; 0.0001210] | Pa×s | [180.15; 467.00] |
ChemSep v8.3 pure component data Compiled value
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.10420e+01 | |||
| Coefficient B | 1.04310e+03 | |||
| Coefficient C | -3.84230e-02 | |||
| Coefficient D | 1.15350e-07 | |||
| Coefficient E | 2.00000e+00 | |||
| Temperature range, min. | 180.15 | |||
| Temperature range, max. | 467.00 | |||
| η | 0.0043064 | Pa×s | 180.15 | Calculated Property |
| η | 0.0017948 | Pa×s | 212.02 | Calculated Property |
| η | 0.0009401 | Pa×s | 243.89 | Calculated Property |
| η | 0.0005719 | Pa×s | 275.77 | Calculated Property |
| η | 0.0003857 | Pa×s | 307.64 | Calculated Property |
| η | 0.0002801 | Pa×s | 339.51 | Calculated Property |
| η | 0.0002150 | Pa×s | 371.38 | Calculated Property |
| η | 0.0001722 | Pa×s | 403.26 | Calculated Property |
| η | 0.0001425 | Pa×s | 435.13 | Calculated Property |
| η | 0.0001210 | Pa×s | 467.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | [38.40; 7.57] | kJ/mol | [180.15; 553.40] |
ChemSep v8.3 pure component data Compiled value
|
| Equation | Y = A·(1 − Tr)^(B + C·Tr + D·Tr² + E·Tr³), Tr = T/Tc Y is ΔvapH in kJ/mol, T in K | |||
| Coefficient A | 1.32820e+01 | |||
| Coefficient B | -7.59695e+00 | |||
| Coefficient C | 2.19630e+01 | |||
| Coefficient D | -2.47737e+01 | |||
| Coefficient E | 1.06673e+01 | |||
| Critical temperature, Tc (K) | 5.67700e+02 | |||
| Temperature range, min. | 180.15 | |||
| Temperature range, max. | 553.40 | |||
| ΔvapH | 38.40 | kJ/mol | 180.15 | Calculated Property |
| ΔvapH | 38.76 | kJ/mol | 221.62 | Calculated Property |
| ΔvapH | 37.74 | kJ/mol | 263.09 | Calculated Property |
| ΔvapH | 36.01 | kJ/mol | 304.57 | Calculated Property |
| ΔvapH | 33.96 | kJ/mol | 346.04 | Calculated Property |
| ΔvapH | 31.60 | kJ/mol | 387.51 | Calculated Property |
| ΔvapH | 28.58 | kJ/mol | 428.98 | Calculated Property |
| ΔvapH | 24.14 | kJ/mol | 470.46 | Calculated Property |
| ΔvapH | 17.33 | kJ/mol | 511.93 | Calculated Property |
| ΔvapH | 7.57 | kJ/mol | 553.40 | Calculated Property |
| 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 | [2.26e-04; 3790.55] | kPa | [180.15; 553.40] |
ChemSep v8.3 pure component data Compiled value
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is Pvap in kPa, T in K | |||
| Coefficient A | 5.01252e+01 | |||
| Coefficient B | -5.79430e+03 | |||
| Coefficient C | -5.09000e+00 | |||
| Coefficient D | 2.39750e-06 | |||
| Coefficient E | 2.00000e+00 | |||
| Temperature range, min. | 180.15 | |||
| Temperature range, max. | 553.40 | |||
| Pvap | 2.26e-04 | kPa | 180.15 | Calculated Property |
| Pvap | 0.03 | kPa | 221.62 | Calculated Property |
| Pvap | 0.91 | kPa | 263.09 | Calculated Property |
| Pvap | 9.15 | kPa | 304.57 | Calculated Property |
| Pvap | 49.84 | kPa | 346.04 | Calculated Property |
| Pvap | 180.83 | kPa | 387.51 | Calculated Property |
| Pvap | 496.10 | kPa | 428.98 | Calculated Property |
| Pvap | 1115.63 | kPa | 470.46 | Calculated Property |
| Pvap | 2170.29 | kPa | 511.93 | Calculated Property |
| Pvap | 3790.55 | kPa | 553.40 | 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 |
| Pvap | [0.13; 101.15] | kPa | [253.30; 362.10] |
NIST
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.75586e+01 | |||
| Coefficient B | -4.16060e+03 | |||
| Coefficient C | -4.06180e+01 | |||
| Reference | Stull, 1947 | |||
| Comment | Coefficents calculated by NIST from author's data. | |||
| Temperature range, min. | 253.30 | |||
| Temperature range, max. | 362.10 | |||
| Pvap | 0.13 | kPa | 253.30 | Calculated Property |
| Pvap | 0.39 | kPa | 265.39 | Calculated Property |
| Pvap | 0.99 | kPa | 277.48 | Calculated Property |
| Pvap | 2.33 | kPa | 289.57 | Calculated Property |
| Pvap | 5.05 | kPa | 301.66 | Calculated Property |
| Pvap | 10.23 | kPa | 313.74 | Calculated Property |
| Pvap | 19.51 | kPa | 325.83 | Calculated Property |
| Pvap | 35.31 | kPa | 337.92 | Calculated Property |
| Pvap | 61.01 | kPa | 350.01 | Calculated Property |
| Pvap | 101.15 | kPa | 362.10 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ρl | [901.43; 465.68] | kg/m3 | [180.15; 533.76] |
ChemSep v8.3 pure component data Compiled value
|
| Equation | Y = A / B^(1 + (1 − T/C)^D) Y is ρl in kg/m3, T in K | |||
| Coefficient A | 1.97432e+01 | |||
| Coefficient B | 1.38490e-01 | |||
| Coefficient C | 5.67700e+02 | |||
| Coefficient D | 1.82070e-01 | |||
| Temperature range, min. | 180.15 | |||
| Temperature range, max. | 533.76 | |||
| ρl | 901.43 | kg/m3 | 180.15 | Calculated Property |
| ρl | 869.95 | kg/m3 | 219.44 | Calculated Property |
| ρl | 836.68 | kg/m3 | 258.73 | Calculated Property |
| ρl | 801.24 | kg/m3 | 298.02 | Calculated Property |
| ρl | 763.08 | kg/m3 | 337.31 | Calculated Property |
| ρl | 721.42 | kg/m3 | 376.60 | Calculated Property |
| ρl | 674.97 | kg/m3 | 415.89 | Calculated Property |
| ρl | 621.51 | kg/m3 | 455.18 | Calculated Property |
| ρl | 556.35 | kg/m3 | 494.47 | Calculated Property |
| ρl | 465.68 | kg/m3 | 533.76 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| γ | [0.04; 5.12e-04] | N/m | [180.15; 553.40] |
ChemSep v8.3 pure component data Compiled value
|
| Equation | Y = A + exp(B/T + C + D·T + E·T²) Y is γ in N/m, T in K | |||
| Coefficient A | -3.42360e-02 | |||
| Coefficient B | -7.12270e+01 | |||
| Coefficient C | -1.65940e+00 | |||
| Coefficient D | -3.59240e-03 | |||
| Coefficient E | 1.36000e-06 | |||
| Temperature range, min. | 180.15 | |||
| Temperature range, max. | 553.40 | |||
| γ | 0.04 | N/m | 180.15 | Calculated Property |
| γ | 0.03 | N/m | 221.62 | Calculated Property |
| γ | 0.03 | N/m | 263.09 | Calculated Property |
| γ | 0.02 | N/m | 304.57 | Calculated Property |
| γ | 0.02 | N/m | 346.04 | Calculated Property |
| γ | 0.01 | N/m | 387.51 | Calculated Property |
| γ | 0.01 | N/m | 428.98 | Calculated Property |
| γ | 0.01 | N/m | 470.46 | Calculated Property |
| γ | 0.00 | N/m | 511.93 | Calculated Property |
| γ | 5.12e-04 | N/m | 553.40 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| λgas | [0.00; 0.13] | W/m×K | [180.15; 1000.00] |
ChemSep v8.3 pure component data Compiled value
|
| Equation | Y = A·T^B / (1 + C/T + D/T²) Y is λgas in W/m×K, T in K | |||
| Coefficient A | -6.05840e+06 | |||
| Coefficient B | -9.05730e-02 | |||
| Coefficient C | 3.17600e+09 | |||
| Coefficient D | -2.84000e+13 | |||
| Temperature range, min. | 180.15 | |||
| Temperature range, max. | 1000.00 | |||
| λgas | 0.00 | W/m×K | 180.15 | Calculated Property |
| λgas | 0.01 | W/m×K | 271.24 | Calculated Property |
| λgas | 0.02 | W/m×K | 362.34 | Calculated Property |
| λgas | 0.03 | W/m×K | 453.43 | Calculated Property |
| λgas | 0.04 | W/m×K | 544.53 | Calculated Property |
| λgas | 0.05 | W/m×K | 635.62 | Calculated Property |
| λgas | 0.07 | W/m×K | 726.72 | Calculated Property |
| λgas | 0.09 | W/m×K | 817.81 | Calculated Property |
| λgas | 0.11 | W/m×K | 908.91 | Calculated Property |
| λgas | 0.13 | W/m×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| λliquid | [0.18; 0.10] | W/m×K | [165.90; 435.90] |
ChemSep v8.3 pure component data Compiled value
|
| Equation | Y = A + exp(B/T + C + D·T + E·T²) Y is λliquid in W/m×K, T in K | |||
| Coefficient A | -1.10380e-01 | |||
| Coefficient B | 1.84120e+01 | |||
| Coefficient C | -1.28240e+00 | |||
| Coefficient D | -5.72220e-05 | |||
| Coefficient E | -1.54100e-06 | |||
| Temperature range, min. | 165.90 | |||
| Temperature range, max. | 435.90 | |||
| λliquid | 0.18 | W/m×K | 165.90 | Calculated Property |
| λliquid | 0.17 | W/m×K | 195.90 | Calculated Property |
| λliquid | 0.16 | W/m×K | 225.90 | Calculated Property |
| λliquid | 0.16 | W/m×K | 255.90 | Calculated Property |
| λliquid | 0.15 | W/m×K | 285.90 | Calculated Property |
| λliquid | 0.14 | W/m×K | 315.90 | Calculated Property |
| λliquid | 0.13 | W/m×K | 345.90 | Calculated Property |
| λliquid | 0.12 | W/m×K | 375.90 | Calculated Property |
| λliquid | 0.11 | W/m×K | 405.90 | Calculated Property |
| λliquid | 0.10 | W/m×K | 435.90 | 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
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 7 ChEDL chemicals 1.5.2, from Kudchadker, A. P.; Ambrose, D.; Tsonopoulos, C. Vapor-Liquid Critical Properties of Elements and Compounds. 7. Oxygen Compounds Other Than Alkanols and Cycloalkanols. J. Chem. Eng. Data 2001, 46, 457-479.
- PSRK revision IV (2005), critical constants and acentric factors of 1000 components ChEDL chemicals 1.5.2, from Horstmann, S.; Jabłoniec, A.; Krafczyk, J.; Fischer, K.; Gmehling, J. PSRK Group Contribution Equation of State: Comprehensive Revision and Extension IV, Including Critical Constants and α-Function Parameters for 1000 Components. Fluid Phase Equilib. 2005, 227, 157-164.
- ChemSep v8.3 pure component data Converted from ChemSep v8.3 pure component data, H. Kooijman and R. Taylor (2021, 2022), Artistic License 2.0; see how the values differ.
- 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
- NCMS SOLV-DB
- 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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
These property values are available through the Cheméo API. A free account gives you an access key.