![Bicyclo[2.2.1]heptan-2-one, 1-methyl](/cid/70-474-8/Bicyclo-2-2-1-heptan-2-one-1-methyl.png "Bicyclo[2.2.1]heptan-2-one, 1-methyl")
- InChI
- InChI=1S/C8H12O/c1-8-3-2-6(5-8)4-7(8)9/h6H,2-5H2,1H3
- InChI Key
- ZYVCBPCUGIGFJA-UHFFFAOYSA-N
- Formula
- C8H12O
- SMILES
- CC12CCC(CC1=O)C2
- Molecular Weight1
- 124.18
- CAS
- 10218-04-9
- 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).
- 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 | 0.3383 | Relay (1.0) Calculated Property | |
| ΔfG° | -2.20 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -213.43 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 3.86 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 44.49 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.13 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.07 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.766 | Crippen Calculated Property | |
| McVol | 103.430 | ml/mol | McGowan Calculated Property |
| Pc | 3805.69 | kPa | Joback Calculated Property |
| Tboil | 441.23 | K | Relay (1.0) Calculated Property |
| Tc | 684.59 | K | Relay (1.0) Calculated Property |
| Tfus | 321.38 | K | Relay (1.0) Calculated Property |
| Vc | 0.363 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [233.88; 316.03] | J/mol×K | [468.25; 699.24] | 
|
| Cp,gas | 233.88 | J/mol×K | 468.25 | Joback Calculated Property |
| Cp,gas | 250.25 | J/mol×K | 506.75 | Joback Calculated Property |
| Cp,gas | 265.34 | J/mol×K | 545.25 | Joback Calculated Property |
| Cp,gas | 279.32 | J/mol×K | 583.74 | Joback Calculated Property |
| Cp,gas | 292.33 | J/mol×K | 622.24 | Joback Calculated Property |
| Cp,gas | 304.52 | J/mol×K | 660.74 | Joback Calculated Property |
| Cp,gas | 316.03 | J/mol×K | 699.24 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Bicyclo[2.2.1]heptan-2-one, 1-methyl.
Sources
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