- InChI
- InChI=1S/C8H14O/c1-3-4-5-6-7-8(2)9/h3-4H,5-7H2,1-2H3/b4-3+
- InChI Key
- FPXPWFLCGOFSTQ-ONEGZZNKSA-N
- Formula
- C8H14O
- SMILES
- CC=CCCCC(C)=O
- Molecular Weight1
- 126.20
- CAS
- 35194-31-1
- 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).
- 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° | -32.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -203.81 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 40.11 | 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 | 2856.62 | kPa | Joback Calculated Property |
| Inp | [985.00; 985.00] |
|
|
| Inp | 985.00 | NIST | |
| Inp | 985.00 | NIST | |
| Tboil | 440.47 | K | Joback Calculated Property |
| Tc | 624.44 | K | Joback Calculated Property |
| Tfus | 224.77 | K | Joback Calculated Property |
| Vc | 0.469 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [239.73; 304.76] | J/mol×K | [440.47; 624.44] |
|
| Cp,gas | 239.73 | J/mol×K | 440.47 | Joback Calculated Property |
| Cp,gas | 251.92 | J/mol×K | 471.13 | Joback Calculated Property |
| Cp,gas | 263.55 | J/mol×K | 501.79 | Joback Calculated Property |
| Cp,gas | 274.62 | J/mol×K | 532.46 | Joback Calculated Property |
| Cp,gas | 285.17 | J/mol×K | 563.12 | Joback Calculated Property |
| Cp,gas | 295.21 | J/mol×K | 593.78 | Joback Calculated Property |
| Cp,gas | 304.76 | J/mol×K | 624.44 | Joback Calculated Property |
| η | [0.0002453; 0.0040418] | Pa×s | [224.77; 440.47] |
|
| η | 0.0040418 | Pa×s | 224.77 | Joback Calculated Property |
| η | 0.0018362 | Pa×s | 260.72 | Joback Calculated Property |
| η | 0.0010100 | Pa×s | 296.67 | Joback Calculated Property |
| η | 0.0006321 | Pa×s | 332.62 | Joback Calculated Property |
| η | 0.0004335 | Pa×s | 368.57 | Joback Calculated Property |
| η | 0.0003179 | Pa×s | 404.52 | Joback Calculated Property |
| η | 0.0002453 | Pa×s | 440.47 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 6-Octen-2-one.
Sources
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