- InChI
- InChI=1S/C14H22O/c1-4-11-8-12-10(2)6-5-7-14(12,3)9-13(11)15/h8,10,12H,4-7,9H2,1-3H3/t10-,12?,14+/m0/s1
- InChI Key
- SEOAUNZLBHTCGB-RCYCPFCNSA-N
- Formula
- C14H22O
- SMILES
- CCC1=CC2C(C)CCCC2(C)CC1=O
- Molecular Weight1
- 206.32
- 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° | 24.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -307.82 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 15.00 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.01 | kJ/mol | Joback Calculated Property |
| log10WS | -3.88 | Crippen Calculated Property | |
| logPoct/wat | 3.738 | Crippen Calculated Property | |
| McVol | 183.670 | ml/mol | McGowan Calculated Property |
| Pc | 2195.89 | kPa | Joback Calculated Property |
| Inp | [1528.00; 1528.00] |
|
|
| Inp | 1528.00 | NIST | |
| Inp | 1528.00 | NIST | |
| Tboil | 617.81 | K | Joback Calculated Property |
| Tc | 851.30 | K | Joback Calculated Property |
| Tfus | 370.50 | K | Joback Calculated Property |
| Vc | 0.692 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [509.02; 625.77] | J/mol×K | [617.81; 851.30] |
|
| Cp,gas | 509.02 | J/mol×K | 617.81 | Joback Calculated Property |
| Cp,gas | 531.19 | J/mol×K | 656.73 | Joback Calculated Property |
| Cp,gas | 552.11 | J/mol×K | 695.64 | Joback Calculated Property |
| Cp,gas | 571.89 | J/mol×K | 734.56 | Joback Calculated Property |
| Cp,gas | 590.67 | J/mol×K | 773.47 | Joback Calculated Property |
| Cp,gas | 608.59 | J/mol×K | 812.39 | Joback Calculated Property |
| Cp,gas | 625.77 | J/mol×K | 851.30 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 13-nor-cis-Eudesm-6-en-8-one.
Sources
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