- InChI
- InChI=1S/C14H20O/c1-10-6-5-7-14(4)9-13(2,3)12(15)8-11(10)14/h6,8H,5,7,9H2,1-4H3/t14-/m1/s1
- InChI Key
- GGWRXCWEYXHJBW-CQSZACIVSA-N
- Formula
- C14H20O
- SMILES
- CC1=CCCC2(C)CC(C)(C)C(=O)C=C12
- 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° | 47.19 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -225.93 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 8.47 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.12 | 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 | 2414.74 | kPa | Joback Calculated Property |
| Inp | [1626.00; 1626.00] |
|
|
| Inp | 1626.00 | NIST | |
| Inp | 1626.00 | NIST | |
| Tboil | 626.86 | K | Joback Calculated Property |
| Tc | 873.04 | K | Joback Calculated Property |
| Tfus | 411.92 | K | Joback Calculated Property |
| Vc | 0.676 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [483.19; 594.30] | J/mol×K | [626.86; 873.04] |
|
| Cp,gas | 483.19 | J/mol×K | 626.86 | Joback Calculated Property |
| Cp,gas | 503.30 | J/mol×K | 667.89 | Joback Calculated Property |
| Cp,gas | 522.40 | J/mol×K | 708.92 | Joback Calculated Property |
| Cp,gas | 540.77 | J/mol×K | 749.95 | Joback Calculated Property |
| Cp,gas | 558.69 | J/mol×K | 790.98 | Joback Calculated Property |
| Cp,gas | 576.44 | J/mol×K | 832.01 | Joback Calculated Property |
| Cp,gas | 594.30 | J/mol×K | 873.04 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 11,12,13-tris-nor-8,8-Dimethyleudesm-3,5-dien-7-one.
Sources
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