- InChI
- InChI=1S/C14H20O/c1-4-11-6-5-10(3)14-12(11)7-9(2)8-13(14)15/h7,11-12H,4-6,8H2,1-3H3/t11-,12?/m1/s1
- InChI Key
- ABEATVHGSAOQMK-JHJMLUEUSA-N
- Formula
- C14H20O
- SMILES
- CCC1CCC(C)=C2C(=O)CC(C)=CC21
- Molecular Weight1
- 204.31
- 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° | 48.54 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -267.88 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 20.67 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.09 | kJ/mol | Joback Calculated Property |
| log10WS | -3.98 | Crippen Calculated Property | |
| logPoct/wat | 3.658 | Crippen Calculated Property | |
| McVol | 179.370 | ml/mol | McGowan Calculated Property |
| Pc | 2183.60 | kPa | Joback Calculated Property |
| Inp | [1687.00; 1687.00] |
|
|
| Inp | 1687.00 | NIST | |
| Inp | 1687.00 | NIST | |
| Tboil | 631.36 | K | Joback Calculated Property |
| Tc | 859.92 | K | Joback Calculated Property |
| Tfus | 376.64 | K | Joback Calculated Property |
| Vc | 0.680 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [488.63; 592.07] | J/mol×K | [631.36; 859.92] |
|
| Cp,gas | 488.63 | J/mol×K | 631.36 | Joback Calculated Property |
| Cp,gas | 508.80 | J/mol×K | 669.45 | Joback Calculated Property |
| Cp,gas | 527.77 | J/mol×K | 707.55 | Joback Calculated Property |
| Cp,gas | 545.56 | J/mol×K | 745.64 | Joback Calculated Property |
| Cp,gas | 562.20 | J/mol×K | 783.73 | Joback Calculated Property |
| Cp,gas | 577.70 | J/mol×K | 821.83 | Joback Calculated Property |
| Cp,gas | 592.07 | J/mol×K | 859.92 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 11-nor-Cadin-5-en-4-one, isomer B.
Sources
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