- InChI
- InChI=1S/C10H18O/c1-2-3-5-9-6-4-7-10(11)8-9/h9H,2-8H2,1H3
- InChI Key
- ORIINXCHZXECLA-UHFFFAOYSA-N
- Formula
- C10H18O
- SMILES
- CCCCC1CCCC(=O)C1
- Molecular Weight1
- 154.25
- CAS
- 39178-69-3
- Other Names
-
- 3-Butyl-cyclohexanone
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -64.82 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -333.11 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 13.00 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 42.53 | kJ/mol | Joback Calculated Property |
| log10WS | -2.94 | Crippen Calculated Property | |
| logPoct/wat | 2.936 | Crippen Calculated Property | |
| McVol | 142.470 | ml/mol | McGowan Calculated Property |
| Pc | 2662.52 | kPa | Joback Calculated Property |
| I | 1711.00 | NIST | |
| Tboil | 515.57 | K | Joback Calculated Property |
| Tc | 729.05 | K | Joback Calculated Property |
| Tfus | 278.06 | K | Joback Calculated Property |
| Vc | 0.535 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [338.22; 438.17] | J/mol×K | [515.57; 729.05] | 
|
| Cp,gas | 338.22 | J/mol×K | 515.57 | Joback Calculated Property |
| Cp,gas | 357.09 | J/mol×K | 551.15 | Joback Calculated Property |
| Cp,gas | 375.07 | J/mol×K | 586.73 | Joback Calculated Property |
| Cp,gas | 392.17 | J/mol×K | 622.31 | Joback Calculated Property |
| Cp,gas | 408.39 | J/mol×K | 657.89 | Joback Calculated Property |
| Cp,gas | 423.72 | J/mol×K | 693.47 | Joback Calculated Property |
| Cp,gas | 438.17 | J/mol×K | 729.05 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cyclohexanone, 3-butyl-.
Sources
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