- InChI
- InChI=1S/C15H24O2/c1-5-11(2)10-12(3)6-8-14-9-7-13(4)15(16)17-14/h7,9,11-12H,5-6,8,10H2,1-4H3
- InChI Key
- NEMOHEQHTVPJLI-UHFFFAOYSA-N
- Formula
- C15H24O2
- SMILES
- CCC(C)CC(C)CCc1ccc(C)c(=O)o1
- Molecular Weight1
- 236.35
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation 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).
- 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 |
|---|---|---|---|
| ω | 0.6416 | Relay (1.0) Calculated Property | |
| ΔfG° | -106.83 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -491.83 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 84.95 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.95 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.47 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.953 | Crippen Calculated Property | |
| McVol | 210.190 | ml/mol | McGowan Calculated Property |
| Pc | 1934.35 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1851.00; 1851.00] |
|
|
| Inp | 1851.00 | NIST | |
| Inp | 1851.00 | NIST | |
| I | 2592.00 | NIST | |
| Tboil | 594.59 | K | Relay (1.0) Calculated Property |
| Tc | 753.16 | K | Relay (1.0) Calculated Property |
| Tfus | 253.67 | K | Relay (1.0) Calculated Property |
| Vc | 0.764 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 5-(3,5-dimethylheptanyl)-3-methyl-2H-pyran-2-one, diastereomer 2.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- McGowan Method
- NIST Webbook
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