- InChI
- InChI=1S/C15H26O2/c1-10(2)13(16)12-7-9-15(17)8-5-6-11(3)14(12,15)4/h10-12,17H,5-9H2,1-4H3/t11-,12+,14-,15+/m0/s1
- InChI Key
- HUQLDUXYHVFPRA-MYZSUADSSA-N
- Formula
- C15H26O2
- SMILES
- CC(C)C(=O)C1CCC2(O)CCCC(C)C12C
- Molecular Weight1
- 238.37
- 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.
- 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° | -133.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -506.10 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 16.29 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.44 | kJ/mol | Joback Calculated Property |
| log10WS | -3.58 | Crippen Calculated Property | |
| logPoct/wat | 3.179 | Crippen Calculated Property | |
| McVol | 207.930 | ml/mol | McGowan Calculated Property |
| Pc | 2191.78 | kPa | Joback Calculated Property |
| Inp | [1718.00; 1718.00] |
|
|
| Inp | 1718.00 | NIST | |
| Inp | 1718.00 | NIST | |
| Tboil | 705.64 | K | Joback Calculated Property |
| Tc | 915.62 | K | Joback Calculated Property |
| Tfus | 419.20 | K | Joback Calculated Property |
| Vc | 0.778 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [639.79; 748.59] | J/mol×K | [705.64; 915.62] |
|
| Cp,gas | 639.79 | J/mol×K | 705.64 | Joback Calculated Property |
| Cp,gas | 658.75 | J/mol×K | 740.64 | Joback Calculated Property |
| Cp,gas | 677.10 | J/mol×K | 775.63 | Joback Calculated Property |
| Cp,gas | 695.05 | J/mol×K | 810.63 | Joback Calculated Property |
| Cp,gas | 712.81 | J/mol×K | 845.63 | Joback Calculated Property |
| Cp,gas | 730.59 | J/mol×K | 880.63 | Joback Calculated Property |
| Cp,gas | 748.59 | J/mol×K | 915.62 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dihydrochiloscypholone.
Sources
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