- InChI
- InChI=1S/C9H9NO3/c1-6(11)10-8-4-2-7(3-5-8)9(12)13/h2-5H,1H3,(H,10,11)(H,12,13)
- InChI Key
- QCXJEYYXVJIFCE-UHFFFAOYSA-N
- Formula
- C9H9NO3
- SMILES
- CC(=O)Nc1ccc(C(=O)O)cc1
- Molecular Weight1
- 179.17
- CAS
- 556-08-1
- Other Names
-
- 4'-Carboxyacetanilide
- 4-Acetylaminobenzoic acid
- 4-Carboxyacetanilide
- 4-acetamidobenzoic acid
- Benzoic acid, 4-(acetylamino)-
- Benzoic acid, p-acetamido-
- N-(4-Carboxyphenyl)acetic acid amide
- N-Acetyl-p-aminobenzoic acid
- NSC 4002
- PAAB
- benzoic acid, 4-acetamido-
- p-Acetamidobenzoic acid
- p-Acetaminobenzoic acid
- p-Acetaminophenylcarboxylic acid
- p-Acetoaminobenzoic acid
- p-Acetylaminobenzoic acid
- p-Carboxyacetanilide
- 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).
- 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).
- Inp : Non-polar retention indices.
- 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.
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry.
Do not hesitate to contact us for your projects.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | -177.59 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -327.95 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 34.20 | kJ/mol | Acetami... |
| ΔvapH° | 75.17 | kJ/mol | Joback Calculated Property |
| IE | 8.70 ± 0.20 | eV | NIST |
| log10WS | -1.73 | Crippen Calculated Property | |
| logPoct/wat | 1.343 | Crippen Calculated Property | |
| McVol | 132.900 | ml/mol | McGowan Calculated Property |
| Pc | 4244.08 | kPa | Joback Calculated Property |
| Inp | 2008.00 | NIST | |
| Tboil | 687.07 | K | Joback Calculated Property |
| Tc | 898.02 | K | Joback Calculated Property |
| Tfus | 443.47 | K | Joback Calculated Property |
| Vc | 0.497 | m3/kmol | Joback Calculated Property |
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
![Benzoic acid, 4-[(1,3-dioxobutyl)amino]-.](data:image/png;base64,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)
Find more compounds similar to Acedoben.
Mixtures
Sources
- Crippen Method
- Crippen Method
- Partial molar volumes of some drug and pro-drug substances in 1-octanol at T = 298.15 K
- 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.