- InChI
- InChI=1S/C18H16O/c19-17-11-13-18(14-12-17,15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-11,13H,12,14H2
- InChI Key
- LUFGFXHHSGISSL-UHFFFAOYSA-N
- Formula
- C18H16O
- SMILES
-
O=C1C=CC(c2ccccc2)(c2ccccc2)CC
1 - Molecular Weight1
- 248.32
- CAS
- 4528-64-7
- Other Names
-
- 4,4-Diphenyl-2-cyclohexen-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° | 251.83 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 47.85 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 16.73 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.03 | kJ/mol | Joback Calculated Property |
| log10WS | -4.37 | Crippen Calculated Property | |
| logPoct/wat | 3.892 | Crippen Calculated Property | |
| McVol | 203.370 | ml/mol | McGowan Calculated Property |
| Pc | 2595.13 | kPa | Joback Calculated Property |
| Tboil | 751.37 | K | Joback Calculated Property |
| Tc | 1036.29 | K | Joback Calculated Property |
| Tfus | 445.72 | K | Joback Calculated Property |
| Vc | 0.751 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [574.99; 684.02] | J/mol×K | [751.37; 1036.29] | 
|
| Cp,gas | 574.99 | J/mol×K | 751.37 | Joback Calculated Property |
| Cp,gas | 595.45 | J/mol×K | 798.86 | Joback Calculated Property |
| Cp,gas | 614.61 | J/mol×K | 846.34 | Joback Calculated Property |
| Cp,gas | 632.76 | J/mol×K | 893.83 | Joback Calculated Property |
| Cp,gas | 650.19 | J/mol×K | 941.32 | Joback Calculated Property |
| Cp,gas | 667.18 | J/mol×K | 988.80 | Joback Calculated Property |
| Cp,gas | 684.02 | J/mol×K | 1036.29 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Cyclohexen-1-one, 4,4-diphenyl-.
Sources
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