- InChI
- InChI=1S/C7H12O/c1-6-3-2-4-7(8)5-6/h6H,2-5H2,1H3/t6-/m0/s1
- InChI Key
- UJBOOUHRTQVGRU-LURJTMIESA-N
- Formula
- C7H12O
- SMILES
- CC1CCCC(=O)C1
- Molecular Weight1
- 112.17
- CAS
- 24965-87-5
- 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).
- Tboilr : Boiling point at reduced pressure (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 | 0.3464 | Relay (... Calculated Property | |
| ΔfG° | -90.08 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -252.95 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 5.23 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 43.29 | kJ/mol | Relay (... Calculated Property |
| IE | 9.27 | eV | Relay (... Calculated Property |
| log10WS | -1.27 | Relay (... Calculated Property | |
| logPoct/wat | 1.766 | Crippen Calculated Property | |
| McVol | 100.200 | ml/mol | McGowan Calculated Property |
| Pc | 3673.09 | kPa | Joback Calculated Property |
| Tboil | 439.20 | K | NIST |
| Tc | 647.57 | K | Relay (... Calculated Property |
| Tfus | 234.21 | K | Relay (... Calculated Property |
| Vc | 0.340 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [204.07; 288.21] | J/mol×K | [446.93; 670.65] | 
|
| Cp,gas | 204.07 | J/mol×K | 446.93 | Joback Calculated Property |
| Cp,gas | 219.79 | J/mol×K | 484.22 | Joback Calculated Property |
| Cp,gas | 234.85 | J/mol×K | 521.50 | Joback Calculated Property |
| Cp,gas | 249.23 | J/mol×K | 558.79 | Joback Calculated Property |
| Cp,gas | 262.92 | J/mol×K | 596.07 | Joback Calculated Property |
| Cp,gas | 275.92 | J/mol×K | 633.36 | Joback Calculated Property |
| Cp,gas | 288.21 | J/mol×K | 670.65 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 338.20 | K | 2.00 | NIST |
Similar Compounds
Find more compounds similar to Cyclohexanone, 3-methyl-, (S)-.
Sources
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