- InChI
- InChI=1S/C13H20O/c1-9-7-11-6-4-5-10(2)13(11,3)8-12(9)14/h6,9-10H,4-5,7-8H2,1-3H3/t9-,10+,13-/m1/s1
- InChI Key
- IUMBBNVGGDEFBX-GBIKHYSHSA-N
- Formula
- C13H20O
- SMILES
- CC1CC2=CCCC(C)C2(C)CC1=O
- 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.
- I : 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° | 16.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -287.18 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 12.41 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.79 | 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 | 2407.64 | kPa | Joback Calculated Property |
| Inp | 1484.00 | NIST | |
| I | [2006.00; 2006.00] |
|
|
| I | 2006.00 | NIST | |
| I | 2006.00 | NIST | |
| Tboil | 594.93 | K | Joback Calculated Property |
| Tc | 833.28 | K | Joback Calculated Property |
| Tfus | 359.23 | K | Joback Calculated Property |
| Vc | 0.635 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [456.49; 570.53] | J/mol×K | [594.93; 833.28] |
|
| Cp,gas | 456.49 | J/mol×K | 594.93 | Joback Calculated Property |
| Cp,gas | 478.27 | J/mol×K | 634.66 | Joback Calculated Property |
| Cp,gas | 498.76 | J/mol×K | 674.38 | Joback Calculated Property |
| Cp,gas | 518.10 | J/mol×K | 714.11 | Joback Calculated Property |
| Cp,gas | 536.42 | J/mol×K | 753.83 | Joback Calculated Property |
| Cp,gas | 553.85 | J/mol×K | 793.56 | Joback Calculated Property |
| Cp,gas | 570.53 | J/mol×K | 833.28 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 8-«alpha»-Methyl-11,12,13-tris-nor-eremophil-1(10)-en-7-one.
Sources
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