- InChI
- InChI=1S/C9H18O/c1-5-6-7-8(10)9(2,3)4/h5-7H2,1-4H3
- InChI Key
- ZLMHETMAEHQFHK-UHFFFAOYSA-N
- Formula
- C9H18O
- SMILES
- CCCCC(=O)C(C)(C)C
- Molecular Weight1
- 142.24
- CAS
- 19078-97-8
- 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).
- 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° | -101.18 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -350.42 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 13.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 41.08 | kJ/mol | Joback Calculated Property |
| log10WS | -2.63 | Crippen Calculated Property | |
| logPoct/wat | 2.792 | Crippen Calculated Property | |
| McVol | 139.240 | ml/mol | McGowan Calculated Property |
| Pc | 2500.00 | kPa | Joback Calculated Property |
| Inp | [959.00; 967.00] |
|
|
| Inp | 964.70 | NIST | |
| Inp | 963.00 | NIST | |
| Inp | Outlier 959.00 | NIST | |
| Inp | 967.00 | NIST | |
| Inp | 965.00 | NIST | |
| Inp | 963.00 | NIST | |
| Inp | 965.00 | NIST | |
| Tboil | 441.00 ± 4.00 | K | NIST |
| Tc | 640.95 | K | Joback Calculated Property |
| Tfus | 243.54 | K | Joback Calculated Property |
| Vc | 0.534 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [300.18; 378.33] | J/mol×K | [455.96; 640.95] |
|
| Cp,gas | 300.18 | J/mol×K | 455.96 | Joback Calculated Property |
| Cp,gas | 314.95 | J/mol×K | 486.79 | Joback Calculated Property |
| Cp,gas | 328.99 | J/mol×K | 517.62 | Joback Calculated Property |
| Cp,gas | 342.31 | J/mol×K | 548.46 | Joback Calculated Property |
| Cp,gas | 354.96 | J/mol×K | 579.29 | Joback Calculated Property |
| Cp,gas | 366.96 | J/mol×K | 610.12 | Joback Calculated Property |
| Cp,gas | 378.33 | J/mol×K | 640.95 | Joback Calculated Property |
| η | [0.0002877; 0.0066874] | Pa×s | [243.54; 455.96] |
|
| η | 0.0066874 | Pa×s | 243.54 | Joback Calculated Property |
| η | 0.0028381 | Pa×s | 278.94 | Joback Calculated Property |
| η | 0.0014610 | Pa×s | 314.35 | Joback Calculated Property |
| η | 0.0008603 | Pa×s | 349.75 | Joback Calculated Property |
| η | 0.0005584 | Pa×s | 385.15 | Joback Calculated Property |
| η | 0.0003898 | Pa×s | 420.56 | Joback Calculated Property |
| η | 0.0002877 | Pa×s | 455.96 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,2-Dimethyl-3-heptanone.
Sources
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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.