![7-Acetyl-2,2,6-trimethylbicyclo[4.2.0]octane](/cid/93-203-3/7-Acetyl-2-2-6-trimethylbicyclo-4-2-0-octane.png "7-Acetyl-2,2,6-trimethylbicyclo[4.2.0]octane")
- InChI
- InChI=1S/C13H22O2/c1-9(14)15-11-8-10-12(2,3)6-5-7-13(10,11)4/h10-11H,5-8H2,1-4H3
- InChI Key
- SAWHMFWVBIJWKO-UHFFFAOYSA-N
- Formula
- C13H22O2
- SMILES
- CC(=O)OC1CC2C(C)(C)CCCC12C
- Molecular Weight1
- 210.31
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.4344 | Relay (... Calculated Property | |
| ΔfG° | -104.44 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -509.54 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 13.83 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.71 | kJ/mol | Relay (... Calculated Property |
| IE | 8.96 | eV | Relay (... Calculated Property |
| log10WS | -3.44 | Relay (... Calculated Property | |
| logPoct/wat | 3.154 | Crippen Calculated Property | |
| McVol | 179.750 | ml/mol | McGowan Calculated Property |
| Pc | 2298.11 | kPa | Joback Calculated Property |
| Inp | [1370.00; 1370.00] |
|
|
| Inp | 1370.00 | NIST | |
| Inp | 1370.00 | NIST | |
| I | [1763.00; 1763.00] |
|
|
| I | 1763.00 | NIST | |
| I | 1763.00 | NIST | |
| Tboil | 507.00 | K | Relay (... Calculated Property |
| Tc | 747.21 | K | Relay (... Calculated Property |
| Tfus | 266.76 | K | Relay (... Calculated Property |
| Vc | 0.626 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [489.76; 596.98] | J/mol×K | [586.29; 805.67] |
|
| Cp,gas | 489.76 | J/mol×K | 586.29 | Joback Calculated Property |
| Cp,gas | 509.83 | J/mol×K | 622.85 | Joback Calculated Property |
| Cp,gas | 528.72 | J/mol×K | 659.42 | Joback Calculated Property |
| Cp,gas | 546.65 | J/mol×K | 695.98 | Joback Calculated Property |
| Cp,gas | 563.86 | J/mol×K | 732.54 | Joback Calculated Property |
| Cp,gas | 580.56 | J/mol×K | 769.11 | Joback Calculated Property |
| Cp,gas | 596.98 | J/mol×K | 805.67 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 7-Acetyl-2,2,6-trimethylbicyclo[4.2.0]octane.
Sources
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