- InChI
- InChI=1S/C10H18O/c1-5-10(11)9(4)7-6-8(2)3/h6,9H,5,7H2,1-4H3
- InChI Key
- WKQWDIFHKYWRTA-UHFFFAOYSA-N
- Formula
- C10H18O
- SMILES
- CCC(=O)C(C)CC=C(C)C
- Molecular Weight1
- 154.25
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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.
- 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° | -26.37 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -260.16 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.62 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 44.25 | kJ/mol | Joback Calculated Property |
| log10WS | -2.90 | Crippen Calculated Property | |
| logPoct/wat | 2.958 | Crippen Calculated Property | |
| McVol | 149.030 | ml/mol | McGowan Calculated Property |
| Pc | 2379.54 | kPa | Joback Calculated Property |
| Inp | 1110.00 | NIST | |
| I | [1381.00; 1381.00] |
|
|
| I | 1381.00 | NIST | |
| I | 1381.00 | NIST | |
| Tboil | 485.67 | K | Joback Calculated Property |
| Tc | 673.48 | K | Joback Calculated Property |
| Tfus | 218.35 | K | Joback Calculated Property |
| Vc | 0.577 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [325.34; 403.61] | J/mol×K | [485.67; 673.48] |
|
| Cp,gas | 325.34 | J/mol×K | 485.67 | Joback Calculated Property |
| Cp,gas | 340.07 | J/mol×K | 516.97 | Joback Calculated Property |
| Cp,gas | 354.09 | J/mol×K | 548.27 | Joback Calculated Property |
| Cp,gas | 367.43 | J/mol×K | 579.57 | Joback Calculated Property |
| Cp,gas | 380.11 | J/mol×K | 610.87 | Joback Calculated Property |
| Cp,gas | 392.16 | J/mol×K | 642.17 | Joback Calculated Property |
| Cp,gas | 403.61 | J/mol×K | 673.48 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Octen-6-one, 2,5-dimethyl.
Sources
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