- InChI
- InChI=1S/C8H14O/c1-7(2)5-4-6-8(3)9/h1,4-6H2,2-3H3
- InChI Key
- FMCHGBFGIKQNCT-UHFFFAOYSA-N
- Formula
- C8H14O
- SMILES
- C=C(C)CCCC(C)=O
- Molecular Weight1
- 126.20
- CAS
- 10408-15-8
- Other Names
-
- 6-Methyl-6-hepten-2-one
- 6-Methylhept-6-en-2-one
- 6-Hepten-2-one, 6-methyl-
- 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.
- 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 |
|---|---|---|---|
| ΔfG° | -33.15 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -205.39 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 15.49 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 39.56 | 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 | 2841.41 | kPa | Joback Calculated Property |
| Inp | [966.00; 1013.00] |
|
|
| Inp | 966.00 | NIST | |
| Inp | 1013.00 | NIST | |
| I | 1300.00 | NIST | |
| Tboil | 432.87 | K | Joback Calculated Property |
| Tc | 615.30 | K | Joback Calculated Property |
| Tfus | 214.13 | K | Joback Calculated Property |
| Vc | 0.471 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [239.45; 304.41] | J/mol×K | [432.87; 615.30] |
|
| Cp,gas | 239.45 | J/mol×K | 432.87 | Joback Calculated Property |
| Cp,gas | 251.55 | J/mol×K | 463.28 | Joback Calculated Property |
| Cp,gas | 263.12 | J/mol×K | 493.68 | Joback Calculated Property |
| Cp,gas | 274.17 | J/mol×K | 524.09 | Joback Calculated Property |
| Cp,gas | 284.73 | J/mol×K | 554.49 | Joback Calculated Property |
| Cp,gas | 294.80 | J/mol×K | 584.90 | Joback Calculated Property |
| Cp,gas | 304.41 | J/mol×K | 615.30 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Hepten-6-one, 2-methyl-.
Sources
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