- InChI
- InChI=1S/C6H12O/c1-3-4-5-6(2)7/h3-5H2,1-2H3
- InChI Key
- QQZOPKMRPOGIEB-UHFFFAOYSA-N
- Formula
- C6H12O
- SMILES
- CCCCC(C)=O
- Molecular Weight1
- 100.16
- CAS
- 591-78-6
- Other Names
-
- 2-Oxohexane
- Hexan-2-one
- Ketone, butyl methyl
- MBK
- MNBK
- Propylacetone
- butyl methyl ketone
- hexanone-2
- methyl butyl ketone
- methyl n-butyl ketone
- n-Butyl methyl ketone
- n-C4H9COCH3
- ω : Acentric Factor.
- 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).
- 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).
- NFPA Fire : NFPA Fire Rating.
- NFPA Health : NFPA Health Rating.
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.3920 | KDB | |
| ΔcH°liquid | -3754.02 ± 0.96 | kJ/mol | NIST |
| ΔfG° | -129.28 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -279.80 ± 1.10 | kJ/mol | NIST |
| ΔfH°liquid | -322.00 ± 1.00 | kJ/mol | NIST |
| ΔfusH° | 12.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [42.20; 43.15] | kJ/mol |
|
| ΔvapH° | 43.15 | kJ/mol | NIST |
| ΔvapH° | 43.10 ± 0.10 | kJ/mol | NIST |
| ΔvapH° | 43.03 | kJ/mol | NIST |
| ΔvapH° | 43.10 ± 0.10 | kJ/mol | NIST |
| ΔvapH° | 43.00 ± 0.30 | kJ/mol | NIST |
| ΔvapH° | 42.90 | kJ/mol | NIST |
| ΔvapH° | 42.22 ± 0.08 | kJ/mol | NIST |
| ΔvapH° | 42.20 ± 0.10 | kJ/mol | NIST |
| IE | [9.20; 9.44] | eV |
|
| IE | 9.35 ± 0.06 | eV | NIST |
| IE | 9.24 ± 0.02 | eV | NIST |
| IE | 9.33 ± 0.01 | eV | NIST |
| IE | 9.20 | eV | NIST |
| IE | 9.36 ± 0.02 | eV | NIST |
| IE | 9.37 ± 0.02 | eV | NIST |
| IE | 9.34 ± 0.03 | eV | NIST |
| IE | 9.44 ± 0.03 | eV | NIST |
| IE | 9.38 | eV | NIST |
| log10WS | [-0.80; -0.80] |
|
|
| log10WS | -0.80 | Aq. Solubility Prediction | |
| log10WS | -0.80 | Estimated Solubility | |
| logPoct/wat | 1.766 | Crippen Calculated Property | |
| McVol | 96.970 | ml/mol | McGowan Calculated Property |
| NFPA Fire | 3 | KDB | |
| NFPA Health | 2 | KDB | |
| Pc | [3320.00; 3320.00] | kPa |
|
| Pc | 3320.00 | kPa | KDB |
| Pc | 3320.00 ± 80.00 | kPa | NIST |
| ρc | 267.42 ± 3.00 | kg/m3 | NIST |
| Inp | [726.00; 807.00] |
|
|
| Inp | 767.90 | NIST | |
| Inp | 767.07 | NIST | |
| Inp | 766.66 | NIST | |
| Inp | 765.86 | NIST | |
| Inp | 766.82 | NIST | |
| Inp | 767.68 | NIST | |
| Inp | 768.37 | NIST | |
| Inp | 768.70 | NIST | |
| Inp | 769.32 | NIST | |
| Inp | 769.68 | NIST | |
| Inp | 771.05 | NIST | |
| Inp | 772.24 | NIST | |
| Inp | 774.21 | NIST | |
| Inp | 788.05 | NIST | |
| Inp | 787.01 | NIST | |
| Inp | 787.84 | NIST | |
| Inp | 789.11 | NIST | |
| Inp | 789.29 | NIST | |
| Inp | 789.92 | NIST | |
| Inp | 790.50 | NIST | |
| Inp | 791.67 | NIST | |
| Inp | 792.39 | NIST | |
| Inp | 793.70 | NIST | |
| Inp | 795.42 | NIST | |
| Inp | 797.53 | NIST | |
| Inp | 769.69 | NIST | |
| Inp | 770.63 | NIST | |
| Inp | 770.60 | NIST | |
| Inp | 767.41 | NIST | |
| Inp | 765.83 | NIST | |
| Inp | 790.62 | NIST | |
| Inp | 791.12 | NIST | |
| Inp | 791.21 | NIST | |
| Inp | 790.92 | NIST | |
| Inp | 792.67 | NIST | |
| Inp | 769.00 | NIST | |
| Inp | 766.90 | NIST | |
| Inp | 766.80 | NIST | |
| Inp | 766.97 | NIST | |
| Inp | 767.10 | NIST | |
| Inp | 767.30 | NIST | |
| Inp | 768.04 | NIST | |
| Inp | 767.70 | NIST | |
| Inp | 769.00 | NIST | |
| Inp | 767.00 | NIST | |
| Inp | 767.00 | NIST | |
| Inp | 768.00 | NIST | |
| Inp | 775.00 | NIST | |
| Inp | 777.00 | NIST | |
| Inp | 774.00 | NIST | |
| Inp | 774.00 | NIST | |
| Inp | 766.60 | NIST | |
| Inp | 772.00 | NIST | |
| Inp | Outlier 731.40 | NIST | |
| Inp | 791.30 | NIST | |
| Inp | 792.30 | NIST | |
| Inp | 794.30 | NIST | |
| Inp | 770.00 | NIST | |
| Inp | Outlier 742.00 | NIST | |
| Inp | 773.00 | NIST | |
| Inp | 751.00 | NIST | |
| Inp | 759.00 | NIST | |
| Inp | 747.00 | NIST | |
| Inp | 763.00 | NIST | |
| Inp | 764.00 | NIST | |
| Inp | 764.00 | NIST | |
| Inp | Outlier 738.00 | NIST | |
| Inp | Outlier 728.00 | NIST | |
| Inp | Outlier 736.00 | NIST | |
| Inp | 778.00 | NIST | |
| Inp | 745.60 | NIST | |
| Inp | Outlier 726.00 | NIST | |
| Inp | Outlier 727.00 | NIST | |
| Inp | 745.00 | NIST | |
| Inp | 752.00 | NIST | |
| Inp | 747.00 | NIST | |
| Inp | 752.00 | NIST | |
| Inp | 772.00 | NIST | |
| Inp | 761.00 | NIST | |
| Inp | 770.00 | NIST | |
| Inp | 770.00 | NIST | |
| Inp | 771.00 | NIST | |
| Inp | 788.00 | NIST | |
| Inp | 768.00 | NIST | |
| Inp | 775.00 | NIST | |
| Inp | 790.00 | NIST | |
| Inp | 788.00 | NIST | |
| Inp | 802.00 | NIST | |
| Inp | 789.00 | NIST | |
| Inp | 760.60 | NIST | |
| Inp | 787.50 | NIST | |
| Inp | 802.00 | NIST | |
| Inp | 801.00 | NIST | |
| Inp | 771.00 | NIST | |
| Inp | 792.00 | NIST | |
| Inp | 792.00 | NIST | |
| Inp | 793.00 | NIST | |
| Inp | 798.00 | NIST | |
| Inp | 792.00 | NIST | |
| Inp | 793.00 | NIST | |
| Inp | 770.00 | NIST | |
| Inp | 760.00 | NIST | |
| Inp | 792.00 | NIST | |
| Inp | 793.00 | NIST | |
| Inp | 789.00 | NIST | |
| Inp | 763.00 | NIST | |
| Inp | 792.00 | NIST | |
| Inp | 747.00 | NIST | |
| Inp | 753.00 | NIST | |
| Inp | 755.00 | NIST | |
| Inp | 792.00 | NIST | |
| Inp | 803.00 | NIST | |
| Inp | 750.00 | NIST | |
| Inp | 789.00 | NIST | |
| Inp | Outlier 807.00 | NIST | |
| Inp | 769.00 | NIST | |
| Inp | 768.00 | NIST | |
| Inp | 769.00 | NIST | |
| Inp | 769.00 | NIST | |
| Inp | 771.00 | NIST | |
| Inp | 771.00 | NIST | |
| Inp | 768.00 | NIST | |
| Inp | 768.00 | NIST | |
| Inp | 767.00 | NIST | |
| Inp | 758.00 | NIST | |
| Inp | 786.00 | NIST | |
| Inp | 789.00 | NIST | |
| Inp | 791.00 | NIST | |
| Inp | 768.00 | NIST | |
| Inp | 789.00 | NIST | |
| Inp | 792.00 | NIST | |
| Inp | 792.00 | NIST | |
| Inp | 790.00 | NIST | |
| Inp | 787.00 | NIST | |
| Inp | 788.00 | NIST | |
| Inp | 790.00 | NIST | |
| Inp | 786.00 | NIST | |
| Inp | 786.00 | NIST | |
| Inp | 789.00 | NIST | |
| Inp | 789.00 | NIST | |
| Inp | 761.00 | NIST | |
| Inp | 800.00 | NIST | |
| Inp | 770.00 | NIST | |
| Inp | 761.00 | NIST | |
| Inp | 765.00 | NIST | |
| Inp | 792.00 | NIST | |
| Inp | 793.00 | NIST | |
| Inp | 759.00 | NIST | |
| Inp | 761.00 | NIST | |
| Inp | 761.00 | NIST | |
| Inp | 761.00 | NIST | |
| Inp | 790.00 | NIST | |
| Inp | 792.00 | NIST | |
| Inp | 793.00 | NIST | |
| Inp | 747.00 | NIST | |
| Inp | 772.00 | NIST | |
| Inp | 775.00 | NIST | |
| Inp | 767.00 | NIST | |
| Inp | 760.00 | NIST | |
| Inp | 779.00 | NIST | |
| Inp | 797.00 | NIST | |
| Inp | 791.00 | NIST | |
| Inp | 778.00 | NIST | |
| Inp | 747.00 | NIST | |
| Inp | 768.00 | NIST | |
| Inp | 795.00 | NIST | |
| Inp | 791.00 | NIST | |
| Inp | 788.00 | NIST | |
| Inp | 769.00 | NIST | |
| Inp | 756.00 | NIST | |
| Inp | 782.00 | NIST | |
| Inp | 791.00 | NIST | |
| Inp | 791.00 | NIST | |
| Inp | 767.00 | NIST | |
| Inp | 772.00 | NIST | |
| Inp | 786.00 | NIST | |
| Inp | 790.00 | NIST | |
| Inp | 767.00 | NIST | |
| Inp | 788.00 | NIST | |
| Inp | 787.00 | NIST | |
| Inp | 806.00 | NIST | |
| Inp | 768.00 | NIST | |
| Inp | 771.00 | NIST | |
| Inp | 768.00 | NIST | |
| Inp | 768.00 | NIST | |
| Inp | 768.00 | NIST | |
| Inp | 771.00 | NIST | |
| Inp | 787.00 | NIST | |
| Inp | 769.00 | NIST | |
| Inp | 769.00 | NIST | |
| Inp | 787.00 | NIST | |
| Inp | 786.00 | NIST | |
| Inp | 792.00 | NIST | |
| Inp | 790.00 | NIST | |
| Inp | 761.00 | NIST | |
| Inp | 772.00 | NIST | |
| Inp | 769.00 | NIST | |
| Inp | 771.00 | NIST | |
| Inp | 788.00 | NIST | |
| Inp | 787.50 | NIST | |
| Inp | 770.00 | NIST | |
| Inp | 763.00 | NIST | |
| Inp | 767.90 | NIST | |
| Inp | 767.68 | NIST | |
| Inp | 771.05 | NIST | |
| Inp | 787.84 | NIST | |
| Inp | 791.67 | NIST | |
| Inp | 769.69 | NIST | |
| Inp | 790.62 | NIST | |
| Inp | 767.30 | NIST | |
| Inp | 767.00 | NIST | |
| Inp | 774.00 | NIST | |
| Inp | 792.30 | NIST | |
| Inp | 751.00 | NIST | |
| Inp | 764.00 | NIST | |
| Inp | 745.60 | NIST | |
| Inp | 747.00 | NIST | |
| I | [1060.00; 1124.00] |
|
|
| I | 1098.02 | NIST | |
| I | Outlier 1116.32 | NIST | |
| I | 1113.00 | NIST | |
| I | 1097.20 | NIST | |
| I | 1102.20 | NIST | |
| I | 1107.60 | NIST | |
| I | 1082.00 | NIST | |
| I | 1079.00 | NIST | |
| I | 1074.00 | NIST | |
| I | 1077.00 | NIST | |
| I | Outlier 1060.00 | NIST | |
| I | Outlier 1124.00 | NIST | |
| I | 1083.00 | NIST | |
| I | 1083.00 | NIST | |
| I | 1083.00 | NIST | |
| I | 1094.00 | NIST | |
| I | 1083.00 | NIST | |
| I | 1084.00 | NIST | |
| I | 1082.00 | NIST | |
| I | 1089.00 | NIST | |
| I | 1081.00 | NIST | |
| I | 1089.00 | NIST | |
| I | 1082.00 | NIST | |
| I | 1092.00 | NIST | |
| I | 1095.00 | NIST | |
| I | 1078.00 | NIST | |
| I | 1083.00 | NIST | |
| I | 1102.00 | NIST | |
| I | 1112.00 | NIST | |
| I | 1100.00 | NIST | |
| I | 1069.00 | NIST | |
| I | 1075.00 | NIST | |
| I | 1083.00 | NIST | |
| I | 1074.00 | NIST | |
| I | 1077.00 | NIST | |
| I | 1100.00 | NIST | |
| I | 1077.00 | NIST | |
| I | 1088.00 | NIST | |
| I | 1107.00 | NIST | |
| I | 1068.00 | NIST | |
| I | 1078.00 | NIST | |
| I | 1070.00 | NIST | |
| I | 1095.00 | NIST | |
| I | 1100.00 | NIST | |
| I | 1076.00 | NIST | |
| I | 1080.00 | NIST | |
| I | 1087.00 | NIST | |
| I | 1097.00 | NIST | |
| I | 1070.00 | NIST | |
| I | 1090.00 | NIST | |
| I | 1078.00 | NIST | |
| I | 1070.00 | NIST | |
| I | 1100.00 | NIST | |
| I | 1077.00 | NIST | |
| I | 1068.00 | NIST | |
| I | 1076.00 | NIST | |
| I | 1098.02 | NIST | |
| I | 1107.60 | NIST | |
| I | 1102.00 | NIST | |
| S°liquid | 308.10 | J/mol×K | NIST |
| Tboil | [397.15; 422.90] | K |
|
| Tboil | 400.69 | K | Isobaric Vapor-Liquid Equilibria of the Ternary System Methylbutyl Ketone + Nonane + Cyclohexanol |
| Tboil | 400.70 | K | KDB |
| Tboil | 401.20 | K | NIST |
| Tboil | 400.70 | K | NIST |
| Tboil | 400.30 ± 0.50 | K | NIST |
| Tboil | 397.15 ± 3.00 | K | NIST |
| Tboil | 400.15 ± 3.00 | K | NIST |
| Tboil | 401.15 ± 1.00 | K | NIST |
| Tboil | 400.95 ± 0.50 | K | NIST |
| Tboil | 399.00 ± 4.00 | K | NIST |
| Tboil | 400.75 ± 0.50 | K | NIST |
| Tboil | 400.35 ± 0.50 | K | NIST |
| Tboil | 400.95 ± 1.00 | K | NIST |
| Tboil | 399.65 ± 1.50 | K | NIST |
| Tboil | 399.15 ± 2.00 | K | NIST |
| Tboil | 402.15 ± 2.00 | K | NIST |
| Tboil | 401.15 ± 5.00 | K | NIST |
| Tboil | 397.65 ± 5.00 | K | NIST |
| Tboil | 400.15 ± 2.00 | K | NIST |
| Tboil | 400.70 ± 0.50 | K | NIST |
| Tboil | 401.15 ± 5.00 | K | NIST |
| Tboil | 400.30 ± 0.30 | K | NIST |
| Tboil | 400.15 ± 2.00 | K | NIST |
| Tboil | 398.65 ± 2.00 | K | NIST |
| Tboil | 398.65 ± 3.00 | K | NIST |
| Tboil | 399.55 ± 2.00 | K | NIST |
| Tboil | 400.15 ± 2.00 | K | NIST |
| Tboil | 399.65 ± 2.00 | K | NIST |
| Tboil | 400.45 ± 2.00 | K | NIST |
| Tboil | 401.65 ± 1.00 | K | NIST |
| Tboil | 400.35 ± 0.50 | K | NIST |
| Tboil | 400.35 ± 0.30 | K | NIST |
| Tboil | 399.40 ± 1.00 | K | NIST |
| Tboil | 400.15 ± 1.00 | K | NIST |
| Tboil | Outlier 422.90 ± 10.00 | K | NIST |
| Tboil | 400.15 ± 1.00 | K | NIST |
| Tboil | 400.52 ± 0.50 | K | NIST |
| Tboil | 400.15 ± 1.00 | K | NIST |
| Tc | [586.60; 587.00] | K |
|
| Tc | 587.00 | K | KDB |
| Tc | 586.60 ± 0.40 | K | NIST |
| Tc | 587.00 | K | NIST |
| Tc | 587.00 ± 0.50 | K | NIST |
| Tfus | [216.25; 217.60] | K |
|
| Tfus | 217.60 | K | KDB |
| Tfus | 217.03 | K | Aq. Solubility Prediction |
| Tfus | 216.25 ± 0.30 | K | NIST |
| Ttriple | [217.69; 218.42] | K |
|
| Ttriple | 218.42 | K | Thermodynamics of binary mixtures of N-methyl-2-pyrrolidinone and ketone. Experimental results and modelling of the solid-liquid equilibrium and vapou-liquid equilibrium. The Modified UNIFAC (Do) model characterization |
| Ttriple | 217.69 ± 0.05 | K | NIST |
| Ttriple | 217.69 ± 0.05 | K | NIST |
| Vc | 0.367 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [177.78; 232.71] | J/mol×K | [390.75; 568.37] |
|
| Cp,gas | 177.78 | J/mol×K | 390.75 | Joback Calculated Property |
| Cp,gas | 187.87 | J/mol×K | 420.35 | Joback Calculated Property |
| Cp,gas | 197.58 | J/mol×K | 449.96 | Joback Calculated Property |
| Cp,gas | 206.91 | J/mol×K | 479.56 | Joback Calculated Property |
| Cp,gas | 215.87 | J/mol×K | 509.16 | Joback Calculated Property |
| Cp,gas | 224.47 | J/mol×K | 538.77 | Joback Calculated Property |
| Cp,gas | 232.71 | J/mol×K | 568.37 | Joback Calculated Property |
| Cp,liquid | [213.30; 213.40] | J/mol×K | [298.15; 298.15] |
|
| Cp,liquid | 213.40 | J/mol×K | 298.15 | NIST |
| Cp,liquid | 213.30 | J/mol×K | 298.15 | NIST |
| η | [0.0003006; 0.0038104] | Pa×s | [207.31; 390.75] |
|
| η | 0.0038104 | Pa×s | 207.31 | Joback Calculated Property |
| η | 0.0019011 | Pa×s | 237.88 | Joback Calculated Property |
| η | 0.0011112 | Pa×s | 268.46 | Joback Calculated Property |
| η | 0.0007249 | Pa×s | 299.03 | Joback Calculated Property |
| η | 0.0005119 | Pa×s | 329.60 | Joback Calculated Property |
| η | 0.0003835 | Pa×s | 360.18 | Joback Calculated Property |
| η | 0.0003006 | Pa×s | 390.75 | Joback Calculated Property |
| ΔfusH | [14.90; 14.90] | kJ/mol | [217.69; 217.70] |
|
| ΔfusH | 14.90 | kJ/mol | 217.69 | NIST |
| ΔfusH | 14.90 | kJ/mol | 217.69 | NIST |
| ΔfusH | 14.90 | kJ/mol | 217.70 | NIST |
| ΔfusH | 14.90 | kJ/mol | 217.70 | NIST |
| ΔvapH | [36.10; 53.80] | kJ/mol | [308.00; 550.00] |
|
| ΔvapH | 42.50 ± 0.10 | kJ/mol | 308.00 | NIST |
| ΔvapH | 41.60 ± 0.10 | kJ/mol | 323.00 | NIST |
| ΔvapH | 40.70 ± 0.10 | kJ/mol | 338.00 | NIST |
| ΔvapH | 53.80 | kJ/mol | 340.00 | NIST |
| ΔvapH | 40.10 ± 0.10 | kJ/mol | 348.00 | NIST |
| ΔvapH | 43.80 | kJ/mol | 351.00 | NIST |
| ΔvapH | 40.80 | kJ/mol | 352.00 | NIST |
| ΔvapH | 39.50 ± 0.10 | kJ/mol | 358.00 | NIST |
| ΔvapH | 41.50 | kJ/mol | 368.50 | NIST |
| ΔvapH | 39.00 | kJ/mol | 380.00 | NIST |
| ΔvapH | 43.10 | kJ/mol | 400.70 | NIST |
| ΔvapH | 36.35 | kJ/mol | 400.70 | NIST |
| ΔvapH | 36.70 | kJ/mol | 472.00 | NIST |
| ΔvapH | 36.10 | kJ/mol | 550.00 | NIST |
| n0 | [1.40080; 1.40080] | [293.13; 293.15] |
|
|
| n0 | 1.40080 | 293.13 | Isobaric Vapor-Liquid Equilibria of the Ternary System Methylbutyl Ketone + 1-Pentanol + Anisole | |
| n0 | 1.40080 | 293.15 | Isobaric Vapor-Liquid Equilibria of the Ternary System Methylbutyl Ketone + 1-Pentanol + Nonane | |
| ρl | [788.45; 816.00] | kg/m3 | [288.00; 318.15] |
|
| ρl | 816.00 | kg/m3 | 288.00 | KDB |
| ρl | 815.72 | kg/m3 | 288.15 | Thermal and Volumetric Properties of Some C5 and C6 Alkanones at Infinite Dilution in Water |
| ρl | 811.00 | kg/m3 | 293.20 | Ternary and Quaternary Liquid-Liquid Equilibria for Systems of Methyl Butyl Ketone + Water + Hydroquinone + Phenol at 313.2 K and Atmospheric Pressure |
| ρl | 806.70 | kg/m3 | 298.15 | Thermal and Volumetric Properties of Some C5 and C6 Alkanones at Infinite Dilution in Water |
| ρl | 806.37 | kg/m3 | 298.20 | Liquid-liquid equilibrium for methyl butyl ketone + o-, m-, p-cresol + water ternary systems and COSMO-SAC predictions |
| ρl | 797.60 | kg/m3 | 308.15 | Thermal and Volumetric Properties of Some C5 and C6 Alkanones at Infinite Dilution in Water |
| ρl | 788.45 | kg/m3 | 318.15 | Thermal and Volumetric Properties of Some C5 and C6 Alkanones at Infinite Dilution in Water |
| ΔfusS | [68.42; 68.44] | J/mol×K | [217.69; 217.70] |
|
| ΔfusS | 68.44 | J/mol×K | 217.69 | NIST |
| ΔfusS | 68.44 | J/mol×K | 217.69 | NIST |
| ΔfusS | 68.42 | J/mol×K | 217.70 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [302.50; 424.77] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.38679e+01 | |||
| Coefficient B | -2.82795e+03 | |||
| Coefficient C | -9.42620e+01 | |||
| Temperature range, min. | 302.50 | |||
| Temperature range, max. | 424.77 | |||
| Pvap | 1.33 | kPa | 302.50 | Calculated Property |
| Pvap | 3.06 | kPa | 316.09 | Calculated Property |
| Pvap | 6.39 | kPa | 329.67 | Calculated Property |
| Pvap | 12.31 | kPa | 343.26 | Calculated Property |
| Pvap | 22.16 | kPa | 356.84 | Calculated Property |
| Pvap | 37.63 | kPa | 370.43 | Calculated Property |
| Pvap | 60.82 | kPa | 384.01 | Calculated Property |
| Pvap | 94.17 | kPa | 397.60 | Calculated Property |
| Pvap | 140.44 | kPa | 411.18 | Calculated Property |
| Pvap | 202.66 | kPa | 424.77 | Calculated Property |
| Pvap | [1.50e-03; 2927.28] | kPa | [217.35; 587.05] |
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 | 4.75253e+00 | |||
| Coefficient B | -5.04800e+03 | |||
| Coefficient C | 2.29627e+00 | |||
| Coefficient D | -8.15597e-06 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 217.35 | |||
| Temperature range, max. | 587.05 | |||
| Pvap | 1.50e-03 | kPa | 217.35 | Calculated Property |
| Pvap | 0.08 | kPa | 258.43 | Calculated Property |
| Pvap | 1.30 | kPa | 299.51 | Calculated Property |
| Pvap | 10.74 | kPa | 340.58 | Calculated Property |
| Pvap | 53.97 | kPa | 381.66 | Calculated Property |
| Pvap | 188.45 | kPa | 422.74 | Calculated Property |
| Pvap | 498.85 | kPa | 463.82 | Calculated Property |
| Pvap | 1062.21 | kPa | 504.89 | Calculated Property |
| Pvap | 1896.72 | kPa | 545.97 | Calculated Property |
| Pvap | 2927.28 | kPa | 587.05 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Hexanone.
Mixtures
- Phenol, 2-methyl- + 2-Hexanone + Water
- 2-Hexanone + Phenol, 3-methyl- + Water
- PHENOL, 4-METHYL- + 2-Hexanone + Water
- 2-Hexanone + Water
- 2-Hexanone + Sodium sulfate + Water
- 2-Hexanone + 2-Pyrrolidinone, 1-methyl-
- 2-Hexanone + Phenol + Water
- 2-Hexanone + Hydroquinone + Water
- 2-Hexanone + sodium chloride + Water
- 2-Hexanone + Anisole
- 2-Hexanone + 1-Pentanol
- 2-Hexanone + Anisole + 1-Pentanol
- Cyclohexanol + 2-Hexanone
- Cyclohexanol + 2-Hexanone + Nonane
- 2-Hexanone + 1-Pentanol + Nonane
Sources
- KDB Vapor Pressure Data
- Cheméo Relay (1.0)
- Crippen Method
- A relative headspace method for Henry s constants of volatile organic compounds
- Liquid-liquid equilibria in the ternary systems water + cresols + methyl butyl ketone at 298.2 and 313.2 K: experimental data and correlation
- A thermodynamic study of the ketoreductase-catalyzed reduction of 2-alkanones in non-aqueous solvents
- Thermodynamics of binary mixtures of N-methyl-2-pyrrolidinone and ketone. Experimental results and modelling of the solid-liquid equilibrium and vapou-liquid equilibrium. The Modified UNIFAC (Do) model characterization
- (Liquid + liquid) phase equilibria of 1-alkyl-3-methylimidazolium methylsulfate with alcohols, or ethers, or ketones
- Measurements of activity coefficients at infinite dilution of organic solutes and water in 1-propyl-1-methylpiperidinium bis{(trifluoromethyl)sulfonyl}imide ionic liquid using g.l.c.
- Activity coefficients at infinite dilution measurements for organic solutes and water in the ionic liquid 1-ethyl-3-methylimidazolium tetracyanoborate
- Physicochemical properties and activity coefficients at infinite dilution for organic solutes and water in a novel bicyclic guanidinium superbase-derived protic ionic liquid
- Experimental and theoretical study on infinite dilution activity coefficients of various solutes in piperidinium ionic liquids
- Measurements of activity coefficients at infinite dilution for organic solutes and water in N-hexylisoquinolinium thiocyanate, [HiQuin][SCN] using GLC
- The study of activity coefficients at infinite dilution for organic solutes and water in 1-butyl-4-methylpyridinium dicyanamide, [B4MPy][DCA] using GLC
- Activity coefficients at infinite dilution for organic solutes and water in 1-ethyl-1-methylpyrrolidinium lactate
- Separation of aliphatic from aromatic hydrocarbons and sulphur compounds from fuel based on measurements of activity coefficients at infinite dilution for organic solutes and water in the ionic liquid N,N-diethyl-N-methyl-N-(2-methoxy-ethyl)ammonium bis(trifluoromethylsulfonyl)imide
- Solubility measurement, model evaluation and thermodynamic analysis of rivaroxaban polymorphs in organic solvents
- Liquid-liquid equilibrium for methyl butyl ketone + o-, m-, p-cresol + water ternary systems and COSMO-SAC predictions
- Ternary and Quaternary Liquid-Liquid Equilibria for Systems of Methyl Butyl Ketone + Water + Hydroquinone + Phenol at 313.2 K and Atmospheric Pressure
- Activity Coefficients at Infinite Dilution of Organic Solutes and Water in Tributylethylphosphonium Diethylphosphate Using Gas Liquid Chromatography: Thermodynamic Properties of Mixtures Containing Ionic Liquids
- 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
- Isobaric Vapor-Liquid Equilibria of the Ternary System Methylbutyl Ketone + Nonane + Cyclohexanol
- Determination of Henry s Law Constants and Activity Coefficients at Infinite Dilution of Flavor Compounds in Water at 298 K with a Gas-Chromatographic Method
- Isobaric Vapor-Liquid Equilibria of the Ternary System Methylbutyl Ketone + 1-Pentanol + Nonane
- Henry s Constants of 1-Alkanols and 2-Ketones in Salt Solutions
- Determination of Henry's Law Constants Using Internal Standards with Benchmark Values
- Liquid Liquid Equilibria for Ternary Systems: Methyl Butyl Ketone + Phenol + Water and Methyl Butyl Ketone + Hydroquinone + Water at 298.15 K and 323.15 K
- Phase Equilibria of (1-Ethyl-3-methylimidazolium Ethylsulfate + Hydrocarbon, + Ketone, and + Ether) Binary Systems
- Isobaric Vapor-Liquid Equilibria of the Ternary System Methylbutyl Ketone + 1-Pentanol + Anisole
- Joback Method
- KDB
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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