- InChI
- InChI=1S/C6H10O2/c1-3-6(8)4-5(2)7/h4,7H,3H2,1-2H3/b5-4-
- InChI Key
- VGWFDUZMKAWCNX-PLNGDYQASA-N
- Formula
- C6H10O2
- SMILES
- CCC(=O)C=C(C)O
- Molecular Weight1
- 114.14
- CAS
- 34136-00-0
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.5781 | Relay (1.0) Calculated Property | |
| ΔfG° | -194.43 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -442.01 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.88 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.87 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.73 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.05 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.427 | Crippen Calculated Property | |
| McVol | 98.540 | ml/mol | McGowan Calculated Property |
| Pc | 3995.65 | kPa | Joback Calculated Property |
| Tboil | 477.69 | K | Relay (1.0) Calculated Property |
| Tc | 652.28 | K | Relay (1.0) Calculated Property |
| Tfus | 307.29 | K | Relay (1.0) Calculated Property |
| Vc | 0.360 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [205.98; 251.22] | J/mol×K | [486.77; 669.02] | 
|
| Cp,gas | 205.98 | J/mol×K | 486.77 | Joback Calculated Property |
| Cp,gas | 214.52 | J/mol×K | 517.15 | Joback Calculated Property |
| Cp,gas | 222.63 | J/mol×K | 547.52 | Joback Calculated Property |
| Cp,gas | 230.34 | J/mol×K | 577.90 | Joback Calculated Property |
| Cp,gas | 237.66 | J/mol×K | 608.27 | Joback Calculated Property |
| Cp,gas | 244.62 | J/mol×K | 638.65 | Joback Calculated Property |
| Cp,gas | 251.22 | J/mol×K | 669.02 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Hexen-3-one, 5-hydroxy-.
Sources
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