- InChI
- InChI=1S/C9H16O/c1-4-8(2)6-5-7-9(3)10/h4,8H,1,5-7H2,2-3H3
- InChI Key
- AQWAXHULODKDEJ-UHFFFAOYSA-N
- Formula
- C9H16O
- SMILES
- C=CC(C)CCCC(C)=O
- Molecular Weight1
- 140.22
- CAS
- 35215-49-7
- Other Names
-
- 6-methyl-7-octen-2-one
- 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).
- 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° | -18.62 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -221.52 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 15.86 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 41.32 | kJ/mol | Joback Calculated Property |
| log10WS | -2.48 | Crippen Calculated Property | |
| logPoct/wat | 2.568 | Crippen Calculated Property | |
| McVol | 134.940 | ml/mol | McGowan Calculated Property |
| Pc | 2579.34 | kPa | Joback Calculated Property |
| I | 1429.00 | NIST | |
| Tboil | 455.43 | K | Joback Calculated Property |
| Tc | 636.92 | K | Joback Calculated Property |
| Tfus | 224.36 | K | Joback Calculated Property |
| Vc | 0.520 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [281.01; 352.44] | J/mol×K | [455.43; 636.92] | 
|
| Cp,gas | 281.01 | J/mol×K | 455.43 | Joback Calculated Property |
| Cp,gas | 294.33 | J/mol×K | 485.68 | Joback Calculated Property |
| Cp,gas | 307.06 | J/mol×K | 515.93 | Joback Calculated Property |
| Cp,gas | 319.22 | J/mol×K | 546.18 | Joback Calculated Property |
| Cp,gas | 330.83 | J/mol×K | 576.43 | Joback Calculated Property |
| Cp,gas | 341.89 | J/mol×K | 606.68 | Joback Calculated Property |
| Cp,gas | 352.44 | J/mol×K | 636.92 | Joback Calculated Property |
| η | [0.0002706; 0.0060877] | Pa×s | [224.36; 455.43] |
|
| η | 0.0060877 | Pa×s | 224.36 | Joback Calculated Property |
| η | 0.0024776 | Pa×s | 262.87 | Joback Calculated Property |
| η | 0.0012688 | Pa×s | 301.38 | Joback Calculated Property |
| η | 0.0007561 | Pa×s | 339.89 | Joback Calculated Property |
| η | 0.0005007 | Pa×s | 378.41 | Joback Calculated Property |
| η | 0.0003578 | Pa×s | 416.92 | Joback Calculated Property |
| η | 0.0002706 | Pa×s | 455.43 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 7-Octen-2-one, 6-methyl-.
Sources
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