- InChI
- InChI=1S/C10H14O2/c1-2-3-4-6-9-7-5-8-10(11)12-9/h5,7-8H,2-4,6H2,1H3
- InChI Key
- MAUFTTLGOUBZNA-UHFFFAOYSA-N
- Formula
- C10H14O2
- SMILES
- CCCCCc1cccc(=O)o1
- Molecular Weight1
- 166.22
- CAS
- 27593-23-3
- Other Names
-
- 6-Amyl-«alpha»-pyrone
- Pyran-2-one, 6-pentyl-
- 6-N-Amyl «alpha»-pyrone
- 6-Pentyl-2H-pyran-2-one
- «alpha»-Pyrone, 6-pentyl
- 2-Pyrone, 6-pentyl
- 6-Pentyl-«alpha»-pyrone
- «delta»-Deca-2,4-dienolactone
- 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 | 0.5638 | Relay (1.0) Calculated Property | |
| ΔfG° | -139.28 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -346.97 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 78.27 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.27 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.73 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.372 | Crippen Calculated Property | |
| McVol | 139.740 | ml/mol | McGowan Calculated Property |
| Pc | 2626.13 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1406.00; 1465.00] |
|
|
| Inp | 1406.00 | NIST | |
| Inp | 1450.00 | NIST | |
| Inp | 1465.00 | NIST | |
| Inp | 1415.00 | NIST | |
| Inp | 1453.00 | NIST | |
| Inp | 1434.00 | NIST | |
| Inp | 1406.00 | NIST | |
| I | [2143.00; 2176.00] |
|
|
| I | 2175.00 | NIST | |
| I | 2175.00 | NIST | |
| I | 2176.00 | NIST | |
| I | 2176.00 | NIST | |
| I | 2143.00 | NIST | |
| I | 2143.00 | NIST | |
| I | 2176.00 | NIST | |
| I | 2163.00 | NIST | |
| I | 2164.00 | NIST | |
| I | 2166.00 | NIST | |
| Tboil | 549.22 | K | Relay (1.0) Calculated Property |
| Tc | 689.80 | K | Relay (1.0) Calculated Property |
| Tfus | 245.49 | K | Relay (1.0) Calculated Property |
| Vc | 0.529 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 2H-Pyran-2-one, 6-pentyl-.
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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