- InChI
- InChI=1S/C8H14O/c1-5-8(9)7(4)6(2)3/h5H2,1-4H3
- InChI Key
- CDMNXIBTIAFPBU-UHFFFAOYSA-N
- Formula
- C8H14O
- SMILES
- CCC(=O)C(C)=C(C)C
- Molecular Weight1
- 126.20
- CAS
- 17325-90-5
- Other Names
-
- 4,5-dimethyl-4-hexen-3-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.
- 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° | -49.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -223.39 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 15.66 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 40.27 | kJ/mol | Joback Calculated Property |
| log10WS | -2.30 | Crippen Calculated Property | |
| logPoct/wat | 2.322 | Crippen Calculated Property | |
| McVol | 120.850 | ml/mol | McGowan Calculated Property |
| Pc | 2887.40 | kPa | Joback Calculated Property |
| Inp | 972.00 | NIST | |
| Tboil | 440.23 | K | Joback Calculated Property |
| Tc | 631.40 | K | Joback Calculated Property |
| Tfus | 196.85 | K | Joback Calculated Property |
| Vc | 0.471 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [239.59; 306.46] | J/mol×K | [440.23; 631.40] | 
|
| Cp,gas | 239.59 | J/mol×K | 440.23 | Joback Calculated Property |
| Cp,gas | 252.19 | J/mol×K | 472.09 | Joback Calculated Property |
| Cp,gas | 264.18 | J/mol×K | 503.95 | Joback Calculated Property |
| Cp,gas | 275.57 | J/mol×K | 535.81 | Joback Calculated Property |
| Cp,gas | 286.40 | J/mol×K | 567.68 | Joback Calculated Property |
| Cp,gas | 296.69 | J/mol×K | 599.54 | Joback Calculated Property |
| Cp,gas | 306.46 | J/mol×K | 631.40 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Hexen-3-one, 4,5-dimethyl-.
Sources
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