- InChI
- InChI=1S/C8H12O/c1-6(2)5-7(3)8(4)9/h1,3,5H2,2,4H3
- InChI Key
- WEAGIKYKIOBREP-UHFFFAOYSA-N
- Formula
- C8H12O
- SMILES
- C=C(C)CC(=C)C(C)=O
- Molecular Weight1
- 124.18
- CAS
- 51756-18-4
- 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° | 46.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -89.75 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 12.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 38.97 | kJ/mol | Joback Calculated Property |
| log10WS | -2.16 | Crippen Calculated Property | |
| logPoct/wat | 2.098 | Crippen Calculated Property | |
| McVol | 116.550 | ml/mol | McGowan Calculated Property |
| Pc | 2989.32 | kPa | Joback Calculated Property |
| Inp | [874.00; 886.00] |
|
|
| Inp | 874.00 | NIST | |
| Inp | 886.00 | NIST | |
| Inp | 874.00 | NIST | |
| Inp | 874.00 | NIST | |
| Tboil | 429.43 | K | Joback Calculated Property |
| Tc | 619.38 | K | Joback Calculated Property |
| Tfus | 198.41 | K | Joback Calculated Property |
| Vc | 0.454 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [223.60; 285.42] | J/mol×K | [429.43; 619.38] |
|
| Cp,gas | 223.60 | J/mol×K | 429.43 | Joback Calculated Property |
| Cp,gas | 235.27 | J/mol×K | 461.09 | Joback Calculated Property |
| Cp,gas | 246.36 | J/mol×K | 492.75 | Joback Calculated Property |
| Cp,gas | 256.90 | J/mol×K | 524.40 | Joback Calculated Property |
| Cp,gas | 266.91 | J/mol×K | 556.06 | Joback Calculated Property |
| Cp,gas | 276.41 | J/mol×K | 587.72 | Joback Calculated Property |
| Cp,gas | 285.42 | J/mol×K | 619.38 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5-Hexen-2-one, 5-methyl-3-methylene-.
Sources
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