- InChI
- InChI=1S/C17H15NO5/c1-11(19)18-13-7-9-14(10-8-13)23-17(21)15-5-3-4-6-16(15)22-12(2)20/h3-10H,1-2H3,(H,18,19)
- InChI Key
- FEJKLNWAOXSSNR-UHFFFAOYSA-N
- Formula
- C17H15NO5
- SMILES
-
CC(=O)Nc1ccc(OC(=O)c2ccccc2OC(
C)=O)cc1 - Molecular Weight1
- 313.30
- CAS
- 5003-48-5
- Other Names
-
- Benzoic acid, 2-(acetyloxy)-, 4-(acetylamino)phenyl ester
- Salicylic acid, acetate, ester with 4'-hydroxyacetanilide
- 4'-(Acetamido)phenyl-2-acetoxybenzoate
- p-Acetamidophenyl acetylsalicylate
- 2-Acetoxy-4'-(acetamino)phenylbenzoate
- p-N-Acetylaminophenylacetylsalicylate
- 2-(Acetyloxy)benzoic acid 4-(acetylamino)phenyl ester
- Aspirin acetaminophen ester
- Benoral
- Benorilato
- Benortan
- Benorylate
- Fenasparate
- Salipran
- TO 125
- WIN 11450
- 4-Acetamidophenyl salicylate acetate
- Fenasprate
- Quinexin
- 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° | -209.55 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -492.80 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 39.36 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.81 | kJ/mol | Joback Calculated Property |
| log10WS | -4.07 | Crippen Calculated Property | |
| logPoct/wat | 2.789 | Crippen Calculated Property | |
| McVol | 229.300 | ml/mol | McGowan Calculated Property |
| Pc | 2379.54 | kPa | Joback Calculated Property |
| Tboil | 908.30 | K | Joback Calculated Property |
| Tc | 1145.45 | K | Joback Calculated Property |
| Tfus | 606.14 | K | Joback Calculated Property |
| Vc | 0.861 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [671.83; 715.92] | J/mol×K | [908.30; 1145.45] | 
|
| Cp,gas | 671.83 | J/mol×K | 908.30 | Joback Calculated Property |
| Cp,gas | 682.32 | J/mol×K | 947.82 | Joback Calculated Property |
| Cp,gas | 691.51 | J/mol×K | 987.35 | Joback Calculated Property |
| Cp,gas | 699.45 | J/mol×K | 1026.87 | Joback Calculated Property |
| Cp,gas | 706.15 | J/mol×K | 1066.40 | Joback Calculated Property |
| Cp,gas | 711.63 | J/mol×K | 1105.92 | Joback Calculated Property |
| Cp,gas | 715.92 | J/mol×K | 1145.45 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benorilate.
Sources
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