- InChI
- InChI=1S/C14H20O2/c1-9-5-4-6-11-7-12-14(16-12,10(2)15)8-13(9,11)3/h6,9,12H,4-5,7-8H2,1-3H3/t9-,12-,13+,14-/m0/s1
- InChI Key
- OQXGSYYUEPULKW-WTDIUWLJSA-N
- Formula
- C14H20O2
- SMILES
- CC(=O)C12CC3(C)C(=CCCC3C)CC1O2
- Molecular Weight1
- 220.31
- ω : Acentric Factor.
- 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).
- 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 | 0.3881 | Relay (1.0) Calculated Property | |
| ΔfG° | 11.65 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -293.86 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.11 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.92 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.51 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.29 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.869 | Crippen Calculated Property | |
| McVol | 178.680 | ml/mol | McGowan Calculated Property |
| Pc | 2525.19 | kPa | Joback Calculated Property |
| Inp | 1653.00 | NIST | |
| I | [2350.00; 2350.00] |
|
|
| I | 2350.00 | NIST | |
| I | 2350.00 | NIST | |
| Tboil | 536.01 | K | Relay (1.0) Calculated Property |
| Tc | 792.45 | K | Relay (1.0) Calculated Property |
| Tfus | 374.71 | K | Relay (1.0) Calculated Property |
| Vc | 0.653 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [510.15; 614.37] | J/mol×K | [629.25; 863.72] |
|
| Cp,gas | 510.15 | J/mol×K | 629.25 | Joback Calculated Property |
| Cp,gas | 529.11 | J/mol×K | 668.33 | Joback Calculated Property |
| Cp,gas | 547.00 | J/mol×K | 707.41 | Joback Calculated Property |
| Cp,gas | 564.13 | J/mol×K | 746.48 | Joback Calculated Property |
| Cp,gas | 580.86 | J/mol×K | 785.56 | Joback Calculated Property |
| Cp,gas | 597.49 | J/mol×K | 824.64 | Joback Calculated Property |
| Cp,gas | 614.37 | J/mol×K | 863.72 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 13-nor-7,8-Epoxy-eremophil-1(10)-en-11-one.
Sources
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