- InChI
- InChI=1S/C21H16O3/c22-19(16-10-4-1-5-11-16)20(17-12-6-2-7-13-17)24-21(23)18-14-8-3-9-15-18/h1-15,20H
- InChI Key
- FGOSBCXOMBLILW-UHFFFAOYSA-N
- Formula
- C21H16O3
- SMILES
-
O=C(OC(C(=O)c1ccccc1)c1ccccc1)
c1ccccc1 - Molecular Weight1
- 316.35
- CAS
- 1459-20-7
- Other Names
-
- Desyl benzoate
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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° | 97.89 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -129.84 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 33.13 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.68 | kJ/mol | Joback Calculated Property |
| log10WS | -5.68 | Crippen Calculated Property | |
| logPoct/wat | 4.468 | Crippen Calculated Property | |
| McVol | 244.480 | ml/mol | McGowan Calculated Property |
| Pc | 2216.62 | kPa | Joback Calculated Property |
| Tboil | 889.64 | K | Joback Calculated Property |
| Tc | 1149.72 | K | Joback Calculated Property |
| Tfus | 512.78 | K | Joback Calculated Property |
| Vc | 0.911 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [713.24; 773.37] | J/mol×K | [889.64; 1149.72] | 
|
| Cp,gas | 713.24 | J/mol×K | 889.64 | Joback Calculated Property |
| Cp,gas | 726.53 | J/mol×K | 932.99 | Joback Calculated Property |
| Cp,gas | 738.36 | J/mol×K | 976.33 | Joback Calculated Property |
| Cp,gas | 748.84 | J/mol×K | 1019.68 | Joback Calculated Property |
| Cp,gas | 758.09 | J/mol×K | 1063.02 | Joback Calculated Property |
| Cp,gas | 766.22 | J/mol×K | 1106.37 | Joback Calculated Property |
| Cp,gas | 773.37 | J/mol×K | 1149.72 | Joback Calculated Property |
| η | [0.0000600; 0.0007399] | Pa×s | [512.78; 889.64] |
|
| η | 0.0007399 | Pa×s | 512.78 | Joback Calculated Property |
| η | 0.0003874 | Pa×s | 575.59 | Joback Calculated Property |
| η | 0.0002304 | Pa×s | 638.40 | Joback Calculated Property |
| η | 0.0001504 | Pa×s | 701.21 | Joback Calculated Property |
| η | 0.0001053 | Pa×s | 764.02 | Joback Calculated Property |
| η | 0.0000778 | Pa×s | 826.83 | Joback Calculated Property |
| η | 0.0000600 | Pa×s | 889.64 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Ethanone, 2-(benzoyloxy)-1,2-diphenyl-.
Sources
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