- InChI
- InChI=1S/C8H16O/c1-5-7(4)8(9)6(2)3/h6-7H,5H2,1-4H3
- InChI Key
- PZAPVPGZDHJUTO-UHFFFAOYSA-N
- Formula
- C8H16O
- SMILES
- CCC(C)C(=O)C(C)C
- Molecular Weight1
- 128.21
- CAS
- 18641-70-8
- Other Names
-
- 2,4-Dimethyl-3-hexanone
- 2,4-Dimethyl hexanone-3
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -117.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -331.59 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 11.03 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 39.37 | kJ/mol | Joback Calculated Property |
| log10WS | -1.97 | Crippen Calculated Property | |
| logPoct/wat | 2.258 | Crippen Calculated Property | |
| McVol | 125.150 | ml/mol | McGowan Calculated Property |
| Pc | 2749.78 | kPa | Joback Calculated Property |
| I | [1178.00; 1178.00] |
|
|
| I | 1178.00 | NIST | |
| I | 1178.00 | NIST | |
| Tboil | [418.00; 421.00] | K |
|
| Tboil | 420.00 ± 2.00 | K | NIST |
| Tboil | 418.00 ± 3.00 | K | NIST |
| Tboil | 421.00 ± 2.00 | K | NIST |
| Tc | 618.82 | K | Joback Calculated Property |
| Tfus | 199.85 | K | Joback Calculated Property |
| Vc | 0.477 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [255.61; 326.99] | J/mol×K | [435.43; 618.82] |
|
| Cp,gas | 255.61 | J/mol×K | 435.43 | Joback Calculated Property |
| Cp,gas | 268.85 | J/mol×K | 466.00 | Joback Calculated Property |
| Cp,gas | 281.53 | J/mol×K | 496.56 | Joback Calculated Property |
| Cp,gas | 293.67 | J/mol×K | 527.13 | Joback Calculated Property |
| Cp,gas | 305.29 | J/mol×K | 557.69 | Joback Calculated Property |
| Cp,gas | 316.39 | J/mol×K | 588.26 | Joback Calculated Property |
| Cp,gas | 326.99 | J/mol×K | 618.82 | Joback Calculated Property |
| η | [0.0002700; 0.0114893] | Pa×s | [199.85; 435.43] |
|
| η | 0.0114893 | Pa×s | 199.85 | Joback Calculated Property |
| η | 0.0036803 | Pa×s | 239.11 | Joback Calculated Property |
| η | 0.0016253 | Pa×s | 278.38 | Joback Calculated Property |
| η | 0.0008785 | Pa×s | 317.64 | Joback Calculated Property |
| η | 0.0005437 | Pa×s | 356.90 | Joback Calculated Property |
| η | 0.0003700 | Pa×s | 396.17 | Joback Calculated Property |
| η | 0.0002700 | Pa×s | 435.43 | Joback Calculated Property |
| ΔvapH | 42.50 | kJ/mol | 384.00 | NIST |
Similar Compounds
Find more compounds similar to 3-Hexanone, 2,4-dimethyl-.
Sources
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