- InChI
- InChI=1S/C14H26O2/c1-2-3-4-5-6-7-8-10-13-11-9-12-14(15)16-13/h13H,2-12H2,1H3
- InChI Key
- SKQYTJLYRIFFCO-UHFFFAOYSA-N
- Formula
- C14H26O2
- SMILES
- CCCCCCCCCC1CCCC(=O)O1
- Molecular Weight1
- 226.35
- CAS
- 2721-22-4
- Other Names
-
- «delta»-Nonyl-«delta»-valeralactone
- «delta»-Tetradecalactone
- «delta»-tetradecaIactone
- tetrahydro-6-nonyl-2H-pyran-2-one
- 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° | -117.26 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -547.67 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 31.34 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.94 | kJ/mol | Joback Calculated Property |
| log10WS | -4.55 | Crippen Calculated Property | |
| logPoct/wat | 4.223 | Crippen Calculated Property | |
| McVol | 204.700 | ml/mol | McGowan Calculated Property |
| Pc | 1840.41 | kPa | Joback Calculated Property |
| Inp | [1938.00; 1938.00] |
|
|
| Inp | 1938.00 | NIST | |
| Inp | 1938.00 | NIST | |
| I | [2675.00; 2701.00] |
|
|
| I | 2701.00 | NIST | |
| I | 2675.00 | NIST | |
| I | 2701.00 | NIST | |
| I | 2675.00 | NIST | |
| Tboil | 634.04 | K | Joback Calculated Property |
| Tc | 833.46 | K | Joback Calculated Property |
| Tfus | 349.71 | K | Joback Calculated Property |
| Vc | 0.780 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [578.36; 684.42] | J/mol×K | [634.04; 833.46] |
|
| Cp,gas | 578.36 | J/mol×K | 634.04 | Joback Calculated Property |
| Cp,gas | 598.62 | J/mol×K | 667.28 | Joback Calculated Property |
| Cp,gas | 617.84 | J/mol×K | 700.51 | Joback Calculated Property |
| Cp,gas | 636.02 | J/mol×K | 733.75 | Joback Calculated Property |
| Cp,gas | 653.17 | J/mol×K | 766.99 | Joback Calculated Property |
| Cp,gas | 669.30 | J/mol×K | 800.22 | Joback Calculated Property |
| Cp,gas | 684.42 | J/mol×K | 833.46 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2H-Pyran-2-one, tetrahydro-6-nonyl-.
Sources
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