- InChI
- InChI=1S/C9H16O/c1-7(2)5-8(3)6-9(4)10/h5,8H,6H2,1-4H3
- InChI Key
- SUBNDNOQXVTHOF-UHFFFAOYSA-N
- Formula
- C9H16O
- SMILES
- CC(=O)CC(C)C=C(C)C
- Molecular Weight1
- 140.22
- CAS
- 31162-48-8
- Other Names
-
- 4,6-Dimethyl-5-hepten-2-one
- 4,6-Dimethylhept-5-en-2-one
- 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° | -34.79 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -239.52 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 16.03 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 42.02 | kJ/mol | Joback Calculated Property |
| log10WS | -2.48 | Crippen Calculated Property | |
| logPoct/wat | 2.568 | Crippen Calculated Property | |
| McVol | 134.940 | ml/mol | McGowan Calculated Property |
| Pc | 2619.09 | kPa | Joback Calculated Property |
| Inp | [1015.00; 1015.00] |
|
|
| Inp | 1015.00 | NIST | |
| Inp | 1015.00 | NIST | |
| I | 1362.00 | NIST | |
| Tboil | 462.79 | K | Joback Calculated Property |
| Tc | 652.65 | K | Joback Calculated Property |
| Tfus | 207.08 | K | Joback Calculated Property |
| Vc | 0.520 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [281.53; 354.83] | J/mol×K | [462.79; 652.65] |
|
| Cp,gas | 281.53 | J/mol×K | 462.79 | Joback Calculated Property |
| Cp,gas | 295.34 | J/mol×K | 494.43 | Joback Calculated Property |
| Cp,gas | 308.48 | J/mol×K | 526.08 | Joback Calculated Property |
| Cp,gas | 320.97 | J/mol×K | 557.72 | Joback Calculated Property |
| Cp,gas | 332.84 | J/mol×K | 589.36 | Joback Calculated Property |
| Cp,gas | 344.12 | J/mol×K | 621.01 | Joback Calculated Property |
| Cp,gas | 354.83 | J/mol×K | 652.65 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5-Hepten-2-one, 4,6-dimethyl-.
Sources
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