- InChI
- InChI=1S/C15H28O/c1-11(2)12-6-9-14(3)7-5-8-15(4,16)13(14)10-12/h11-13,16H,5-10H2,1-4H3/t12?,13?,14?,15-/m1/s1
- InChI Key
- PWTWAHBPEXYEQQ-MLGYPOCJSA-N
- Formula
- C15H26O
- SMILES
- CC(C)C1CCC2(C)CCCC(C)(O)C2C1
- Molecular Weight1
- 222.37
- CAS
- 5945-72-2
- 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° | -17.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -399.68 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 12.59 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.87 | kJ/mol | Joback Calculated Property |
| log10WS | -4.30 | Crippen Calculated Property | |
| logPoct/wat | 4.000 | Crippen Calculated Property | |
| McVol | 206.360 | ml/mol | McGowan Calculated Property |
| Pc | 2115.83 | kPa | Joback Calculated Property |
| Inp | [1597.00; 1669.70] |
|
|
| Inp | 1656.00 | NIST | |
| Inp | 1641.00 | NIST | |
| Inp | 1660.00 | NIST | |
| Inp | 1601.00 | NIST | |
| Inp | 1600.00 | NIST | |
| Inp | 1600.00 | NIST | |
| Inp | 1662.10 | NIST | |
| Inp | 1669.70 | NIST | |
| Inp | 1631.00 | NIST | |
| Inp | 1660.00 | NIST | |
| Inp | 1631.00 | NIST | |
| Inp | 1662.00 | NIST | |
| Inp | 1597.00 | NIST | |
| Inp | 1661.00 | NIST | |
| Inp | 1602.00 | NIST | |
| I | [2093.00; 2148.00] |
|
|
| I | 2139.00 | NIST | |
| I | 2093.00 | NIST | |
| I | 2138.00 | NIST | |
| I | 2148.00 | NIST | |
| Tboil | 656.04 | K | Joback Calculated Property |
| Tc | 865.65 | K | Joback Calculated Property |
| Tfus | 365.75 | K | Joback Calculated Property |
| Vc | 0.764 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [617.08; 733.64] | J/mol×K | [656.04; 865.65] |
|
| Cp,gas | 617.08 | J/mol×K | 656.04 | Joback Calculated Property |
| Cp,gas | 638.19 | J/mol×K | 690.98 | Joback Calculated Property |
| Cp,gas | 658.35 | J/mol×K | 725.91 | Joback Calculated Property |
| Cp,gas | 677.78 | J/mol×K | 760.85 | Joback Calculated Property |
| Cp,gas | 696.66 | J/mol×K | 795.78 | Joback Calculated Property |
| Cp,gas | 715.22 | J/mol×K | 830.72 | Joback Calculated Property |
| Cp,gas | 733.64 | J/mol×K | 865.65 | Joback Calculated Property |
Similar Compounds
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Sources
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