- InChI
- InChI=1S/C9H9NO3/c1-6(11)10-8-5-3-2-4-7(8)9(12)13/h2-5H,1H3,(H,10,11)(H,12,13)
- InChI Key
- QSACCXVHEVWNMX-UHFFFAOYSA-N
- Formula
- C9H9NO3
- SMILES
- CC(=O)Nc1ccccc1C(=O)O
- Molecular Weight1
- 179.18
- Other Names
-
- 2-acetamidobenzoic acid
- N-acetylanthranilic acid
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- IE : Ionization energy (eV).
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -487.52 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | [29.32; 49.40] | kJ/mol |
|
| ΔfusH° | 29.32 | kJ/mol | Thermodynamic properties of sublimation of the ortho and meta isomers of acetoxy and acetamido benzoic acids |
| ΔfusH° | 49.40 | kJ/mol | Acetamidobenzoic acid isomers: Studying sublimation and fusion processes and their connection with crystal structures |
| ΔvapH° | 97.21 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.47 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.91 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.343 | Crippen Calculated Property | |
| McVol | 132.900 | ml/mol | McGowan Calculated Property |
| Pc | 4244.08 | kPa | Joback Calculated Property |
| Tboil | 573.03 | K | Relay (1.0) Calculated Property |
| Tc | 858.80 | K | Relay (1.0) Calculated Property |
| Tfus | 442.78 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [335.53; 380.73] | J/mol×K | [687.07; 898.02] |
|
| Cp,gas | 335.53 | J/mol×K | 687.07 | Joback Calculated Property |
| Cp,gas | 344.57 | J/mol×K | 722.23 | Joback Calculated Property |
| Cp,gas | 352.97 | J/mol×K | 757.39 | Joback Calculated Property |
| Cp,gas | 360.77 | J/mol×K | 792.54 | Joback Calculated Property |
| Cp,gas | 367.97 | J/mol×K | 827.70 | Joback Calculated Property |
| Cp,gas | 374.62 | J/mol×K | 862.86 | Joback Calculated Property |
| Cp,gas | 380.73 | J/mol×K | 898.02 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to O-ACETAMIDOBENZOIC ACID.
Mixtures
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Partial molar volumes of some drug and pro-drug substances in 1-octanol at T = 298.15 K
- Thermodynamic properties of sublimation of the ortho and meta isomers of acetoxy and acetamido benzoic acids
- Acetamidobenzoic acid isomers: Studying sublimation and fusion processes and their connection with crystal structures
- Joback Method
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.