- InChI
- InChI=1S/C14H20O/c1-9-10-6-7-14(8-10)11(13(9,2)3)4-5-12(14)15/h10-11H,1,4-8H2,2-3H3/t10-,11?,14-/m0/s1
- InChI Key
- ROIPFIPZYGGKEB-PEMBBPQUSA-N
- Formula
- C14H20O
- SMILES
- C=C1C2CCC3(C2)C(=O)CCC3C1(C)C
- 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° | 136.85 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -169.53 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 9.05 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.64 | kJ/mol | Joback Calculated Property |
| log10WS | -3.53 | Crippen Calculated Property | |
| logPoct/wat | 3.348 | Crippen Calculated Property | |
| McVol | 172.810 | ml/mol | McGowan Calculated Property |
| Pc | 2472.73 | kPa | Joback Calculated Property |
| Inp | [1563.00; 1593.00] |
|
|
| Inp | 1593.00 | NIST | |
| Inp | 1566.00 | NIST | |
| Inp | 1563.00 | NIST | |
| Inp | 1593.00 | NIST | |
| Tboil | 611.27 | K | Joback Calculated Property |
| Tc | 853.73 | K | Joback Calculated Property |
| Tfus | 419.78 | K | Joback Calculated Property |
| Vc | 0.660 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [487.80; 601.83] | J/mol×K | [611.27; 853.73] |
|
| Cp,gas | 487.80 | J/mol×K | 611.27 | Joback Calculated Property |
| Cp,gas | 508.81 | J/mol×K | 651.68 | Joback Calculated Property |
| Cp,gas | 528.58 | J/mol×K | 692.09 | Joback Calculated Property |
| Cp,gas | 547.44 | J/mol×K | 732.50 | Joback Calculated Property |
| Cp,gas | 565.72 | J/mol×K | 772.91 | Joback Calculated Property |
| Cp,gas | 583.74 | J/mol×K | 813.32 | Joback Calculated Property |
| Cp,gas | 601.83 | J/mol×K | 853.73 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 12-nor-Preziza-7(15)-en-2-one.
Sources
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