- InChI
- InChI=1S/C16H14O3/c1-12(17)19-16(14-10-6-3-7-11-14)15(18)13-8-4-2-5-9-13/h2-11,16H,1H3
- InChI Key
- QRWAIZJYJNLOPG-UHFFFAOYSA-N
- Formula
- C16H14O3
- SMILES
-
CC(=O)OC(C(=O)c1ccccc1)c1ccccc
1 - Molecular Weight1
- 254.28
- CAS
- 574-06-1
- Other Names
-
- Benzoin, acetate
- O-Acetylbenzoin
- 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° | -56.62 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -263.17 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.14 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.28 | kJ/mol | Joback Calculated Property |
| log10WS | -3.90 | Crippen Calculated Property | |
| logPoct/wat | 3.174 | Crippen Calculated Property | |
| McVol | 197.790 | ml/mol | McGowan Calculated Property |
| Pc | 2563.69 | kPa | Joback Calculated Property |
| Tboil | 748.56 | K | Joback Calculated Property |
| Tc | 991.46 | K | Joback Calculated Property |
| Tfus | 430.01 | K | Joback Calculated Property |
| Vc | 0.740 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [534.59; 603.12] | J/mol×K | [748.56; 991.46] | 
|
| Cp,gas | 534.59 | J/mol×K | 748.56 | Joback Calculated Property |
| Cp,gas | 549.02 | J/mol×K | 789.04 | Joback Calculated Property |
| Cp,gas | 562.17 | J/mol×K | 829.53 | Joback Calculated Property |
| Cp,gas | 574.09 | J/mol×K | 870.01 | Joback Calculated Property |
| Cp,gas | 584.84 | J/mol×K | 910.50 | Joback Calculated Property |
| Cp,gas | 594.50 | J/mol×K | 950.98 | Joback Calculated Property |
| Cp,gas | 603.12 | J/mol×K | 991.46 | Joback Calculated Property |
| η | [0.0001128; 0.0013883] | Pa×s | [430.01; 748.56] |
|
| η | 0.0013883 | Pa×s | 430.01 | Joback Calculated Property |
| η | 0.0007261 | Pa×s | 483.10 | Joback Calculated Property |
| η | 0.0004317 | Pa×s | 536.19 | Joback Calculated Property |
| η | 0.0002819 | Pa×s | 589.29 | Joback Calculated Property |
| η | 0.0001976 | Pa×s | 642.38 | Joback Calculated Property |
| η | 0.0001461 | Pa×s | 695.47 | Joback Calculated Property |
| η | 0.0001128 | Pa×s | 748.56 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Ethanone, 2-(acetyloxy)-1,2-diphenyl-.
Sources
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