![Bicyclo[3.2.1]octan-3-one](/cid/61-357-8/Bicyclo-3-2-1-octan-3-one.png "Bicyclo[3.2.1]octan-3-one")
- InChI
- InChI=1S/C8H12O/c9-8-4-6-1-2-7(3-6)5-8/h6-7H,1-5H2
- InChI Key
- HIMMOVPGAJKVOS-UHFFFAOYSA-N
- Formula
- C8H12O
- SMILES
- O=C1CC2CCC(C1)C2
- Molecular Weight1
- 124.18
- CAS
- 14252-05-2
- Other Names
-
- 3-Bicyclo[3.2.1]octanone
- 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).
- 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° | -8.81 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -221.00 ± 8.40 | kJ/mol | NIST |
| ΔfusH° | 8.06 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 37.82 | kJ/mol | Joback Calculated Property |
| IE | 9.23 | eV | NIST |
| log10WS | -1.76 | Crippen Calculated Property | |
| logPoct/wat | 1.766 | Crippen Calculated Property | |
| McVol | 103.430 | ml/mol | McGowan Calculated Property |
| Pc | 3713.49 | kPa | Joback Calculated Property |
| Tboil | 472.28 | K | Joback Calculated Property |
| Tc | 702.14 | K | Joback Calculated Property |
| Tfus | 276.98 | K | Joback Calculated Property |
| Vc | 0.389 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [232.73; 321.98] | J/mol×K | [472.28; 702.14] | 
|
| Cp,gas | 232.73 | J/mol×K | 472.28 | Joback Calculated Property |
| Cp,gas | 250.02 | J/mol×K | 510.59 | Joback Calculated Property |
| Cp,gas | 266.30 | J/mol×K | 548.90 | Joback Calculated Property |
| Cp,gas | 281.60 | J/mol×K | 587.21 | Joback Calculated Property |
| Cp,gas | 295.95 | J/mol×K | 625.52 | Joback Calculated Property |
| Cp,gas | 309.40 | J/mol×K | 663.83 | Joback Calculated Property |
| Cp,gas | 321.98 | J/mol×K | 702.14 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Bicyclo[3.2.1]octan-3-one.
Sources
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