- InChI
- InChI=1S/C7H14O2/c1-5(2)7(9)4-6(3)8/h5-6,8H,4H2,1-3H3
- InChI Key
- SULIZEHAPZEYJT-UHFFFAOYSA-N
- Formula
- C7H14O2
- SMILES
- CC(O)CC(=O)C(C)C
- Molecular Weight1
- 130.18
- CAS
- 59357-07-2
- 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).
- 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).
- 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° | -262.56 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -463.18 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 12.53 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.83 | kJ/mol | Joback Calculated Property |
| log10WS | -1.17 | Crippen Calculated Property | |
| logPoct/wat | 0.982 | Crippen Calculated Property | |
| McVol | 116.930 | ml/mol | McGowan Calculated Property |
| Pc | 3384.14 | kPa | Joback Calculated Property |
| Tboil | 504.73 | K | Joback Calculated Property |
| Tc | 681.69 | K | Joback Calculated Property |
| Tfus | 249.40 | K | Joback Calculated Property |
| Vc | 0.441 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [266.07; 322.35] | J/mol×K | [504.73; 681.69] | 
|
| Cp,gas | 266.07 | J/mol×K | 504.73 | Joback Calculated Property |
| Cp,gas | 276.55 | J/mol×K | 534.22 | Joback Calculated Property |
| Cp,gas | 286.57 | J/mol×K | 563.72 | Joback Calculated Property |
| Cp,gas | 296.15 | J/mol×K | 593.21 | Joback Calculated Property |
| Cp,gas | 305.30 | J/mol×K | 622.70 | Joback Calculated Property |
| Cp,gas | 314.03 | J/mol×K | 652.20 | Joback Calculated Property |
| Cp,gas | 322.35 | J/mol×K | 681.69 | Joback Calculated Property |
| η | [0.0001574; 0.0707125] | Pa×s | [249.40; 504.73] |
|
| η | 0.0707125 | Pa×s | 249.40 | Joback Calculated Property |
| η | 0.0121690 | Pa×s | 291.95 | Joback Calculated Property |
| η | 0.0032769 | Pa×s | 334.51 | Joback Calculated Property |
| η | 0.0011865 | Pa×s | 377.06 | Joback Calculated Property |
| η | 0.0005279 | Pa×s | 419.62 | Joback Calculated Property |
| η | 0.0002727 | Pa×s | 462.18 | Joback Calculated Property |
| η | 0.0001574 | Pa×s | 504.73 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Hexanone, 5-hydroxy-2-methyl-.
Sources
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