- InChI
- InChI=1S/C9H9NO3/c1-6(11)10-8-4-2-3-7(5-8)9(12)13/h2-5H,1H3,(H,10,11)(H,12,13)
- InChI Key
- RGDPZMQZWZMONQ-UHFFFAOYSA-N
- Formula
- C9H9NO3
- SMILES
- CC(O)=Nc1cccc(C(=O)O)c1
- Molecular Weight1
- 179.17
- CAS
- 587-48-4
- Other Names
-
- 3-(acetylamino)benzoic acid
- 3-acetamidobenzoic acid
- Acetyl-m-aminobenzoic acid
- Benzoic acid, m-acetamido-
- N-Acetyl-m-aminobenzoic acid
- NSC 4001
- m-Acetamidobenzoic acid
- m-Acetamino benzoic acid
- m-Acetylaminobenzoic acid
- 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).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -348.64 | kJ/mol | Joback Calculated Property |
| ΔfusH° | [39.40; 42.28] | kJ/mol |
|
| ΔfusH° | 42.28 | kJ/mol | Thermod... |
| ΔfusH° | 39.40 | kJ/mol | Acetami... |
| ΔvapH° | 82.06 | kJ/mol | Joback Calculated Property |
| log10WS | -1.92 | Crippen Calculated Property | |
| logPoct/wat | 1.993 | Crippen Calculated Property | |
| McVol | 132.900 | ml/mol | McGowan Calculated Property |
| Pc | 3815.10 | kPa | Joback Calculated Property |
| Inp | [1977.00; 1977.00] |
|
|
| Inp | 1977.00 | NIST | |
| Inp | 1977.00 | NIST | |
| Tboil | 751.77 | K | Joback Calculated Property |
| Tc | 960.00 | K | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, 3-(acetylamino)-.
Mixtures
Sources
- 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.