- InChI
- InChI=1S/C12H22O/c1-12(2,3)8-7-10-5-4-6-11(13)9-10/h10H,4-9H2,1-3H3
- InChI Key
- VRNWCRVRHPXEIV-UHFFFAOYSA-N
- Formula
- C12H22O
- SMILES
- CC(C)(C)CCC1CCCC(=O)C1
- Molecular Weight1
- 182.30
- CAS
- 40564-94-1
- Other Names
-
- 3-[3,3-Dimethylbutyl]-cyclohexanone
- 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).
- 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 | 0.4534 | Relay (... Calculated Property | |
| ΔfG° | -45.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -392.38 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 10.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.68 | kJ/mol | Relay (... Calculated Property |
| IE | 9.21 | eV | Relay (... Calculated Property |
| log10WS | -3.92 | Relay (... Calculated Property | |
| logPoct/wat | 3.572 | Crippen Calculated Property | |
| McVol | 170.650 | ml/mol | McGowan Calculated Property |
| Pc | 2244.00 | kPa | Joback Calculated Property |
| I | 1727.00 | NIST | |
| Tboil | 533.91 | K | Relay (... Calculated Property |
| Tc | 731.49 | K | Relay (... Calculated Property |
| Tfus | 322.36 | K | Relay (... Calculated Property |
| Vc | 0.596 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [439.89; 551.20] | J/mol×K | [558.10; 777.82] | 
|
| Cp,gas | 439.89 | J/mol×K | 558.10 | Joback Calculated Property |
| Cp,gas | 461.42 | J/mol×K | 594.72 | Joback Calculated Property |
| Cp,gas | 481.72 | J/mol×K | 631.34 | Joback Calculated Property |
| Cp,gas | 500.82 | J/mol×K | 667.96 | Joback Calculated Property |
| Cp,gas | 518.75 | J/mol×K | 704.58 | Joback Calculated Property |
| Cp,gas | 535.53 | J/mol×K | 741.20 | Joback Calculated Property |
| Cp,gas | 551.20 | J/mol×K | 777.82 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cyclohexanone, 3-(3,3-dimethylbutyl)-.
Sources
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