- InChI
- InChI=1S/C7H14O/c1-4-5-7(8)6(2)3/h6H,4-5H2,1-3H3
- InChI Key
- HIGGFWFRAWSMBR-UHFFFAOYSA-N
- Formula
- C7H14O
- SMILES
- CCCC(=O)C(C)C
- Molecular Weight1
- 114.19
- CAS
- 7379-12-6
- Other Names
-
- 2-METHYL-3-HEXANONE
- 2-Methylhexan-3-one
- Isopropyl propyl ketone
- Propyl isopropyl ketone
- 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).
- 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).
- 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.
- 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 |
|---|---|---|---|
| ΔfG° | -123.30 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -305.67 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 11.96 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 37.53 | kJ/mol | Joback Calculated Property |
| log10WS | -1.79 | Crippen Calculated Property | |
| logPoct/wat | 2.012 | Crippen Calculated Property | |
| McVol | 111.060 | ml/mol | McGowan Calculated Property |
| Pc | 3022.28 | kPa | Joback Calculated Property |
| Inp | [784.00; 820.00] |
|
|
| Inp | 820.00 | NIST | |
| Inp | 819.00 | NIST | |
| Inp | 784.00 | NIST | |
| Inp | 820.00 | NIST | |
| Inp | 819.00 | NIST | |
| Inp | 820.00 | NIST | |
| Inp | 784.00 | NIST | |
| Inp | 820.00 | NIST | |
| Tboil | 412.99 | K | Joback Calculated Property |
| Tc | 593.63 | K | Joback Calculated Property |
| Tfus | 203.58 | K | Joback Calculated Property |
| Vc | 0.427 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [215.47; 278.88] | J/mol×K | [412.99; 593.63] |
|
| Cp,gas | 215.47 | J/mol×K | 412.99 | Joback Calculated Property |
| Cp,gas | 227.17 | J/mol×K | 443.10 | Joback Calculated Property |
| Cp,gas | 238.41 | J/mol×K | 473.20 | Joback Calculated Property |
| Cp,gas | 249.19 | J/mol×K | 503.31 | Joback Calculated Property |
| Cp,gas | 259.52 | J/mol×K | 533.42 | Joback Calculated Property |
| Cp,gas | 269.42 | J/mol×K | 563.52 | Joback Calculated Property |
| Cp,gas | 278.88 | J/mol×K | 593.63 | Joback Calculated Property |
| η | [0.0002897; 0.0065747] | Pa×s | [203.58; 412.99] |
|
| η | 0.0065747 | Pa×s | 203.58 | Joback Calculated Property |
| η | 0.0026700 | Pa×s | 238.48 | Joback Calculated Property |
| η | 0.0013648 | Pa×s | 273.38 | Joback Calculated Property |
| η | 0.0008121 | Pa×s | 308.28 | Joback Calculated Property |
| η | 0.0005371 | Pa×s | 343.19 | Joback Calculated Property |
| η | 0.0003833 | Pa×s | 378.09 | Joback Calculated Property |
| η | 0.0002897 | Pa×s | 412.99 | Joback Calculated Property |
| ΔvapH | 41.30 | kJ/mol | 351.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.67] | kPa | [302.42; 432.51] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.49031e+01 | |||
| Coefficient B | -3.62991e+03 | |||
| Coefficient C | -5.40600e+01 | |||
| Temperature range, min. | 302.42 | |||
| Temperature range, max. | 432.51 | |||
| Pvap | 1.33 | kPa | 302.42 | Calculated Property |
| Pvap | 2.98 | kPa | 316.87 | Calculated Property |
| Pvap | 6.12 | kPa | 331.33 | Calculated Property |
| Pvap | 11.71 | kPa | 345.78 | Calculated Property |
| Pvap | 21.06 | kPa | 360.24 | Calculated Property |
| Pvap | 35.95 | kPa | 374.69 | Calculated Property |
| Pvap | 58.58 | kPa | 389.15 | Calculated Property |
| Pvap | 91.68 | kPa | 403.60 | Calculated Property |
| Pvap | 138.48 | kPa | 418.06 | Calculated Property |
| Pvap | 202.67 | kPa | 432.51 | Calculated Property |
Similar Compounds
Find more compounds similar to 3-Hexanone, 2-methyl-.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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