![3H-Cyclopenta[a]pentalen-3-one-1,2,3a,5,6,6a,7,7a-octahydro-3a,5,5-trimethyl-(3a.«alpha»,6a.«beta»,7a.«alpha»)](/cid/57-095-4/3H-Cyclopenta-a-pentalen-3-one-1-2-3a-5-6-6a-7-7a-octahydro-3a-5-5-trimethyl-3a-alpha-6a-beta-7a-alpha.png "3H-Cyclopenta[a]pentalen-3-one-1,2,3a,5,6,6a,7,7a-octahydro-3a,5,5-trimethyl-(3a.«alpha»,6a.«beta»,7a.«alpha»)")
- InChI
- InChI=1S/C14H20O/c1-13(2)7-9-6-10-4-5-12(15)14(10,3)11(9)8-13/h8-10H,4-7H2,1-3H3/t9-,10+,14+/m1/s1
- InChI Key
- BYIJYWQTZCVKLX-BFVZDQMLSA-N
- Formula
- C14H20O
- SMILES
- CC1(C)C=C2C(CC3CCC(=O)C23C)C1
- 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° | 104.10 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -207.46 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 11.04 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.43 | 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 | 2477.65 | kPa | Joback Calculated Property |
| Inp | [1446.00; 1446.00] |
|
|
| Inp | 1446.00 | NIST | |
| Inp | 1446.00 | NIST | |
| Tboil | 616.25 | K | Joback Calculated Property |
| Tc | 859.92 | K | Joback Calculated Property |
| Tfus | 419.38 | K | Joback Calculated Property |
| Vc | 0.662 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [488.67; 602.15] | J/mol×K | [616.25; 859.92] |
|
| Cp,gas | 488.67 | J/mol×K | 616.25 | Joback Calculated Property |
| Cp,gas | 509.45 | J/mol×K | 656.86 | Joback Calculated Property |
| Cp,gas | 529.04 | J/mol×K | 697.47 | Joback Calculated Property |
| Cp,gas | 547.77 | J/mol×K | 738.09 | Joback Calculated Property |
| Cp,gas | 565.98 | J/mol×K | 778.70 | Joback Calculated Property |
| Cp,gas | 583.99 | J/mol×K | 819.31 | Joback Calculated Property |
| Cp,gas | 602.15 | J/mol×K | 859.92 | Joback Calculated Property |
Similar Compounds
Sources
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