- InChI
- InChI=1S/C8H14O2/c1-3-4-5-6-8(10)7(2)9/h5-7,9H,3-4H2,1-2H3/b6-5+
- InChI Key
- UWPSVTSYXWNHHW-AATRIKPKSA-N
- Formula
- C8H14O2
- SMILES
- CCCC=CC(=O)C(C)O
- Molecular Weight1
- 142.20
- ω : Acentric Factor.
- 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).
- 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).
- 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 |
|---|---|---|---|
| ω | 0.6029 | Relay (1.0) Calculated Property | |
| ΔfG° | -171.48 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -441.00 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.84 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.69 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.53 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.54 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.293 | Crippen Calculated Property | |
| McVol | 126.720 | ml/mol | McGowan Calculated Property |
| Pc | 3188.33 | kPa | Joback Calculated Property |
| I | [1698.00; 1698.00] |
|
|
| I | 1698.00 | NIST | |
| I | 1698.00 | NIST | |
| Tboil | 437.49 | K | Relay (1.0) Calculated Property |
| Tc | 649.98 | K | Relay (1.0) Calculated Property |
| Tfus | 281.86 | K | Relay (1.0) Calculated Property |
| Vc | 0.468 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [291.27; 347.75] | J/mol×K | [532.21; 711.46] |
|
| Cp,gas | 291.27 | J/mol×K | 532.21 | Joback Calculated Property |
| Cp,gas | 301.90 | J/mol×K | 562.08 | Joback Calculated Property |
| Cp,gas | 312.01 | J/mol×K | 591.96 | Joback Calculated Property |
| Cp,gas | 321.63 | J/mol×K | 621.83 | Joback Calculated Property |
| Cp,gas | 330.78 | J/mol×K | 651.71 | Joback Calculated Property |
| Cp,gas | 339.48 | J/mol×K | 681.58 | Joback Calculated Property |
| Cp,gas | 347.75 | J/mol×K | 711.46 | Joback Calculated Property |
| η | [0.0001155; 0.0291030] | Pa×s | [270.59; 532.21] |
|
| η | 0.0291030 | Pa×s | 270.59 | Joback Calculated Property |
| η | 0.0061097 | Pa×s | 314.19 | Joback Calculated Property |
| η | 0.0018764 | Pa×s | 357.80 | Joback Calculated Property |
| η | 0.0007448 | Pa×s | 401.40 | Joback Calculated Property |
| η | 0.0003543 | Pa×s | 445.00 | Joback Calculated Property |
| η | 0.0001924 | Pa×s | 488.61 | Joback Calculated Property |
| η | 0.0001155 | Pa×s | 532.21 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-hydroxy-(E)-4-octen-3-one.
Sources
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