- InChI
- InChI=1S/C13H20O/c1-9-5-4-6-12-7-11(10(2)14)8-13(9,12)3/h6,9,11H,4-5,7-8H2,1-3H3/t9-,11?,13+/m0/s1
- InChI Key
- GMEDUWWEDCATDC-PXVZOOEYSA-N
- Formula
- C13H20O
- SMILES
- CC(=O)C1CC2=CCCC(C)C2(C)C1
- Molecular Weight1
- 192.30
- 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° | 21.99 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -255.90 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 16.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.11 | kJ/mol | Joback Calculated Property |
| log10WS | -3.46 | Crippen Calculated Property | |
| logPoct/wat | 3.348 | Crippen Calculated Property | |
| McVol | 169.580 | ml/mol | McGowan Calculated Property |
| Pc | 2414.74 | kPa | Joback Calculated Property |
| Inp | [1478.00; 1478.00] |
|
|
| Inp | 1478.00 | NIST | |
| Inp | 1478.00 | NIST | |
| Tboil | 576.71 | K | Joback Calculated Property |
| Tc | 800.96 | K | Joback Calculated Property |
| Tfus | 344.46 | K | Joback Calculated Property |
| Vc | 0.642 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [443.84; 547.60] | J/mol×K | [576.71; 800.96] |
|
| Cp,gas | 443.84 | J/mol×K | 576.71 | Joback Calculated Property |
| Cp,gas | 463.80 | J/mol×K | 614.09 | Joback Calculated Property |
| Cp,gas | 482.49 | J/mol×K | 651.46 | Joback Calculated Property |
| Cp,gas | 500.06 | J/mol×K | 688.84 | Joback Calculated Property |
| Cp,gas | 516.67 | J/mol×K | 726.21 | Joback Calculated Property |
| Cp,gas | 532.46 | J/mol×K | 763.59 | Joback Calculated Property |
| Cp,gas | 547.60 | J/mol×K | 800.96 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 12,13-bis-nor-6(7->8)abeo-Eremophil-1(10)-en-7-one.
Sources
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