- InChI
- InChI=1S/C6H12O/c1-4-6(7)5(2)3/h5H,4H2,1-3H3
- InChI Key
- HYTRYEXINDDXJK-UHFFFAOYSA-N
- Formula
- C6H12O
- SMILES
- CCC(=O)C(C)C
- Molecular Weight1
- 100.16
- CAS
- 565-69-5
- Other Names
-
- 2-METHYL-3-PENTANONE
- 2-Methyl-3-pentanal
- 2-Methylpentan-3-one
- 4-Methyl-3-pentanone
- Ethyl isopropyl ketone
- Isopropyl ethyl ketone
- iso-C3H7COC2H5
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas 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).
- 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).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (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 | -3750.16 ± 0.88 | kJ/mol | NIST |
| ΔfG° | -131.72 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -286.10 ± 0.90 | kJ/mol | NIST |
| ΔfH°liquid | -325.90 ± 0.90 | kJ/mol | NIST |
| ΔfusH° | 9.37 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [39.79; 40.50] | kJ/mol |
|
| ΔvapH° | 40.50 | kJ/mol | NIST |
| ΔvapH° | 39.79 ± 0.22 | kJ/mol | NIST |
| ΔvapH° | 39.80 ± 0.20 | kJ/mol | NIST |
| IE | [9.10; 9.10] | eV |
|
| IE | 9.10 ± 0.01 | eV | NIST |
| IE | 9.10 ± 0.01 | eV | NIST |
| log10WS | -1.37 | Crippen Calculated Property | |
| logPoct/wat | 1.621 | Crippen Calculated Property | |
| McVol | 96.970 | ml/mol | McGowan Calculated Property |
| Pc | 3368.44 | kPa | Joback Calculated Property |
| Inp | [722.00; 752.00] |
|
|
| Inp | 733.00 | NIST | |
| Inp | 733.00 | NIST | |
| Inp | 748.00 | NIST | |
| Inp | 722.00 | NIST | |
| Inp | 722.00 | NIST | |
| Inp | 726.00 | NIST | |
| Inp | 747.90 | NIST | |
| Inp | 722.00 | NIST | |
| Inp | 732.00 | NIST | |
| Inp | 732.00 | NIST | |
| Inp | 737.00 | NIST | |
| Inp | Outlier 752.00 | NIST | |
| Inp | 742.00 | NIST | |
| Inp | 742.00 | NIST | |
| Inp | 733.00 | NIST | |
| Inp | 734.00 | NIST | |
| Inp | 732.00 | NIST | |
| Inp | 732.00 | NIST | |
| Inp | 733.00 | NIST | |
| Inp | 733.00 | NIST | |
| Inp | 732.00 | NIST | |
| Inp | 732.00 | NIST | |
| Inp | 737.00 | NIST | |
| I | [972.00; 1007.00] |
|
|
| I | 1003.00 | NIST | |
| I | 1003.00 | NIST | |
| I | 1003.00 | NIST | |
| I | 1005.00 | NIST | |
| I | 989.00 | NIST | |
| I | Outlier 972.00 | NIST | |
| I | 997.00 | NIST | |
| I | 1003.00 | NIST | |
| I | 1007.00 | NIST | |
| I | 1000.00 | NIST | |
| I | 997.00 | NIST | |
| Tboil | [368.15; 390.65] | K |
|
| Tboil | 386.20 | K | NIST |
| Tboil | 386.00 ± 3.00 | K | NIST |
| Tboil | 384.15 ± 3.00 | K | NIST |
| Tboil | 386.15 ± 2.00 | K | NIST |
| Tboil | 387.25 ± 1.00 | K | NIST |
| Tboil | 387.15 ± 1.00 | K | NIST |
| Tboil | 388.15 ± 1.00 | K | NIST |
| Tboil | 388.20 ± 1.00 | K | NIST |
| Tboil | 390.15 ± 1.00 | K | NIST |
| Tboil | 387.70 ± 1.00 | K | NIST |
| Tboil | 386.15 ± 2.00 | K | NIST |
| Tboil | 386.00 ± 0.50 | K | NIST |
| Tboil | 387.65 ± 1.00 | K | NIST |
| Tboil | 388.15 ± 1.00 | K | NIST |
| Tboil | 389.00 ± 2.00 | K | NIST |
| Tboil | 387.90 ± 1.00 | K | NIST |
| Tboil | 387.15 ± 2.00 | K | NIST |
| Tboil | 390.15 ± 3.00 | K | NIST |
| Tboil | 390.65 ± 5.00 | K | NIST |
| Tboil | Outlier 368.15 | K | NIST |
| Tboil | 386.90 ± 1.00 | K | NIST |
| Tc | 571.85 | K | Joback Calculated Property |
| Tfus | 192.31 | K | Joback Calculated Property |
| Vc | 0.371 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [177.67; 234.22] | J/mol×K | [390.11; 571.85] |
|
| Cp,gas | 177.67 | J/mol×K | 390.11 | Joback Calculated Property |
| Cp,gas | 188.09 | J/mol×K | 420.40 | Joback Calculated Property |
| Cp,gas | 198.11 | J/mol×K | 450.69 | Joback Calculated Property |
| Cp,gas | 207.72 | J/mol×K | 480.98 | Joback Calculated Property |
| Cp,gas | 216.93 | J/mol×K | 511.27 | Joback Calculated Property |
| Cp,gas | 225.77 | J/mol×K | 541.56 | Joback Calculated Property |
| Cp,gas | 234.22 | J/mol×K | 571.85 | Joback Calculated Property |
| η | [0.0002910; 0.0061867] | Pa×s | [192.31; 390.11] |
|
| η | 0.0061867 | Pa×s | 192.31 | Joback Calculated Property |
| η | 0.0025603 | Pa×s | 225.28 | Joback Calculated Property |
| η | 0.0013273 | Pa×s | 258.24 | Joback Calculated Property |
| η | 0.0007984 | Pa×s | 291.21 | Joback Calculated Property |
| η | 0.0005326 | Pa×s | 324.18 | Joback Calculated Property |
| η | 0.0003828 | Pa×s | 357.14 | Joback Calculated Property |
| η | 0.0002910 | Pa×s | 390.11 | Joback Calculated Property |
| ΔvapH | [36.20; 43.40] | kJ/mol | [333.50; 413.50] |
|
| ΔvapH | 41.00 | kJ/mol | 333.50 | NIST |
| ΔvapH | 43.40 | kJ/mol | 343.50 | NIST |
| ΔvapH | 36.20 | kJ/mol | 413.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.67] | kPa | [286.74; 412.79] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.48028e+01 | |||
| Coefficient B | -3.45648e+03 | |||
| Coefficient C | -4.86110e+01 | |||
| Temperature range, min. | 286.74 | |||
| Temperature range, max. | 412.79 | |||
| Pvap | 1.33 | kPa | 286.74 | Calculated Property |
| Pvap | 2.99 | kPa | 300.75 | Calculated Property |
| Pvap | 6.14 | kPa | 314.75 | Calculated Property |
| Pvap | 11.76 | kPa | 328.76 | Calculated Property |
| Pvap | 21.16 | kPa | 342.76 | Calculated Property |
| Pvap | 36.09 | kPa | 356.77 | Calculated Property |
| Pvap | 58.78 | kPa | 370.77 | Calculated Property |
| Pvap | 91.90 | kPa | 384.78 | Calculated Property |
| Pvap | 138.65 | kPa | 398.78 | Calculated Property |
| Pvap | 202.67 | kPa | 412.79 | Calculated Property |
| Pvap | [5.87e-05; 3432.78] | kPa | [200.00; 567.00] |
KDB Vap...
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 2.16937e+02 | |||
| Coefficient B | -1.31300e+04 | |||
| Coefficient C | -3.05877e+01 | |||
| Coefficient D | 2.58098e-05 | |||
| Temperature range, min. | 200.00 | |||
| Temperature range, max. | 567.00 | |||
| Pvap | 5.87e-05 | kPa | 200.00 | Calculated Property |
| Pvap | 0.02 | kPa | 240.78 | Calculated Property |
| Pvap | 0.84 | kPa | 281.56 | Calculated Property |
| Pvap | 9.23 | kPa | 322.33 | Calculated Property |
| Pvap | 48.19 | kPa | 363.11 | Calculated Property |
| Pvap | 160.42 | kPa | 403.89 | Calculated Property |
| Pvap | 407.47 | kPa | 444.67 | Calculated Property |
| Pvap | 884.91 | kPa | 485.44 | Calculated Property |
| Pvap | 1770.49 | kPa | 526.22 | Calculated Property |
| Pvap | 3432.78 | kPa | 567.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 3-Pentanone, 2-methyl-.
Mixtures
Sources
- KDB Vapor Pressure Data
- Crippen Method
- Crippen Method
- Air-Water Partitioning of C5 and C6 Alkanones: Measurement, Critical Compilation, Correlation, and Recommended Data
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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