- InChI
- InChI=1S/C11H20O/c1-4-11(2,3)9-5-7-10(12)8-6-9/h9H,4-8H2,1-3H3
- InChI Key
- DCSKAMGZSIRJAQ-UHFFFAOYSA-N
- Formula
- C11H20O
- SMILES
- CCC(C)(C)C1CCC(=O)CC1
- Molecular Weight1
- 168.28
- CAS
- 16587-71-6
- Other Names
-
- Cyclohexanone, 4-tert-pentyl-
- 4-(2-Methyl-sec-butyl)cyclohexanone
- p-tert-Amylcyclohexanone
- 4-tert-Amylcyclohexanone
- 4-(1,1-Dimethylpropyl)cyclohexanone
- 4-tert-Pentylcyclohexanone
- NSC 21167
- 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° | -53.56 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -362.50 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 8.18 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 43.46 | kJ/mol | Joback Calculated Property |
| log10WS | -3.12 | Crippen Calculated Property | |
| logPoct/wat | 3.182 | Crippen Calculated Property | |
| McVol | 156.560 | ml/mol | McGowan Calculated Property |
| Pc | 2462.92 | kPa | Joback Calculated Property |
| I | 1800.00 | NIST | |
| Tboil | 535.22 | K | Joback Calculated Property |
| Tc | 758.91 | K | Joback Calculated Property |
| Tfus | 291.75 | K | Joback Calculated Property |
| Vc | 0.581 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [389.62; 498.19] | J/mol×K | [535.22; 758.91] | 
|
| Cp,gas | 389.62 | J/mol×K | 535.22 | Joback Calculated Property |
| Cp,gas | 410.62 | J/mol×K | 572.50 | Joback Calculated Property |
| Cp,gas | 430.43 | J/mol×K | 609.78 | Joback Calculated Property |
| Cp,gas | 449.06 | J/mol×K | 647.06 | Joback Calculated Property |
| Cp,gas | 466.54 | J/mol×K | 684.35 | Joback Calculated Property |
| Cp,gas | 482.91 | J/mol×K | 721.63 | Joback Calculated Property |
| Cp,gas | 498.19 | J/mol×K | 758.91 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cyclohexanone, 4-(1,1-dimethylpropyl)-.
Sources
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