- InChI
- InChI=1S/C13H16O/c14-13-9-5-4-8-12(13)10-11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10H2
- InChI Key
- CUYLPYBYCYQGCE-UHFFFAOYSA-N
- Formula
- C13H16O
- SMILES
- O=C1CCCCC1Cc1ccccc1
- Molecular Weight1
- 188.27
- CAS
- 946-33-8
- Other Names
-
- Cyclohexanone, 2-(phenylmethyl)-
- 2-benzylcyclohexan-1-one
- 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).
- 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° | 72.85 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -158.50 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 14.81 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.48 | kJ/mol | Joback Calculated Property |
| log10WS | -3.30 | Crippen Calculated Property | |
| logPoct/wat | 2.988 | Crippen Calculated Property | |
| McVol | 160.980 | ml/mol | McGowan Calculated Property |
| Pc | 2784.72 | kPa | Joback Calculated Property |
| Tboil | 610.89 | K | Joback Calculated Property |
| Tc | 861.11 | K | Joback Calculated Property |
| Tfus | 338.29 | K | Joback Calculated Property |
| Vc | 0.596 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [417.44; 519.88] | J/mol×K | [610.89; 861.11] | 
|
| Cp,gas | 417.44 | J/mol×K | 610.89 | Joback Calculated Property |
| Cp,gas | 438.10 | J/mol×K | 652.59 | Joback Calculated Property |
| Cp,gas | 457.29 | J/mol×K | 694.30 | Joback Calculated Property |
| Cp,gas | 475.03 | J/mol×K | 736.00 | Joback Calculated Property |
| Cp,gas | 491.36 | J/mol×K | 777.71 | Joback Calculated Property |
| Cp,gas | 506.30 | J/mol×K | 819.41 | Joback Calculated Property |
| Cp,gas | 519.88 | J/mol×K | 861.11 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Benzylcyclohexanone.
Sources
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