- InChI
- InChI=1S/C8H14O2/c1-6(2)7(10)8(3,4)5-9/h5-6H,1-4H3
- InChI Key
- MXJGWJPUNYJFQO-UHFFFAOYSA-N
- Formula
- C8H14O2
- SMILES
- CC(C)C(=O)C(C)(C)C=O
- Molecular Weight1
- 142.20
- CAS
- 1482-01-5
- 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° | -211.56 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -420.64 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 9.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 45.18 | kJ/mol | Joback Calculated Property |
| log10WS | -1.25 | Crippen Calculated Property | |
| logPoct/wat | 1.437 | Crippen Calculated Property | |
| McVol | 126.720 | ml/mol | McGowan Calculated Property |
| Pc | 3012.33 | kPa | Joback Calculated Property |
| Tboil | 481.30 | K | Joback Calculated Property |
| Tc | 678.07 | K | Joback Calculated Property |
| Tfus | 259.27 | K | Joback Calculated Property |
| Vc | 0.489 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [279.71; 346.39] | J/mol×K | [481.30; 678.07] | 
|
| Cp,gas | 279.71 | J/mol×K | 481.30 | Joback Calculated Property |
| Cp,gas | 292.54 | J/mol×K | 514.09 | Joback Calculated Property |
| Cp,gas | 304.64 | J/mol×K | 546.89 | Joback Calculated Property |
| Cp,gas | 316.05 | J/mol×K | 579.68 | Joback Calculated Property |
| Cp,gas | 326.79 | J/mol×K | 612.48 | Joback Calculated Property |
| Cp,gas | 336.89 | J/mol×K | 645.27 | Joback Calculated Property |
| Cp,gas | 346.39 | J/mol×K | 678.07 | Joback Calculated Property |
| η | [0.0003390; 0.0080597] | Pa×s | [259.27; 481.30] |
|
| η | 0.0080597 | Pa×s | 259.27 | Joback Calculated Property |
| η | 0.0034176 | Pa×s | 296.27 | Joback Calculated Property |
| η | 0.0017534 | Pa×s | 333.28 | Joback Calculated Property |
| η | 0.0010279 | Pa×s | 370.28 | Joback Calculated Property |
| η | 0.0006640 | Pa×s | 407.29 | Joback Calculated Property |
| η | 0.0004613 | Pa×s | 444.29 | Joback Calculated Property |
| η | 0.0003390 | Pa×s | 481.30 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,2,4-Trimethyl-3-oxovaleraldehyde.
Sources
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