- InChI
- InChI=1S/C14H22O/c1-10-5-4-7-14(3)8-6-12(11(2)15)9-13(10)14/h9-10,12H,4-8H2,1-3H3/t10-,12?,14+/m0/s1
- InChI Key
- SEPLFXIHUVTSIX-RCYCPFCNSA-N
- Formula
- C14H22O
- SMILES
- CC(=O)C1C=C2C(C)CCCC2(C)CC1
- Molecular Weight1
- 206.32
- 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.
- 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 | 0.3541 | Relay (... Calculated Property | |
| ΔfG° | 18.31 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -274.57 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 17.09 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.00 | kJ/mol | Relay (... Calculated Property |
| IE | 8.31 | eV | Relay (... Calculated Property |
| log10WS | -3.61 | Relay (... Calculated Property | |
| logPoct/wat | 3.738 | Crippen Calculated Property | |
| McVol | 183.670 | ml/mol | McGowan Calculated Property |
| Pc | 2254.67 | kPa | Joback Calculated Property |
| Inp | [1540.00; 1547.00] |
|
|
| Inp | 1540.00 | NIST | |
| Inp | 1547.00 | NIST | |
| Inp | 1540.00 | NIST | |
| Tboil | 540.78 | K | Relay (... Calculated Property |
| Tc | 770.14 | K | Relay (... Calculated Property |
| Tfus | 345.74 | K | Relay (... Calculated Property |
| Vc | 0.621 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [497.13; 608.73] | J/mol×K | [603.86; 831.60] |
|
| Cp,gas | 497.13 | J/mol×K | 603.86 | Joback Calculated Property |
| Cp,gas | 518.51 | J/mol×K | 641.82 | Joback Calculated Property |
| Cp,gas | 538.57 | J/mol×K | 679.77 | Joback Calculated Property |
| Cp,gas | 557.47 | J/mol×K | 717.73 | Joback Calculated Property |
| Cp,gas | 575.36 | J/mol×K | 755.68 | Joback Calculated Property |
| Cp,gas | 592.39 | J/mol×K | 793.64 | Joback Calculated Property |
| Cp,gas | 608.73 | J/mol×K | 831.60 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 13-nor-Eudesm-5-en-11-one.
Sources
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