- 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
-
- N-acetylanthranilic acid
- o-acetamidobenzoic acid
- 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).
- Psub : Sublimation 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° | -177.59 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -327.95 | kJ/mol | Joback Calculated Property |
| ΔfusH° | [29.32; 49.40] | kJ/mol |
|
| ΔfusH° | 29.32 | kJ/mol | Thermod... |
| ΔfusH° | 49.40 | kJ/mol | Acetami... |
| ΔvapH° | 75.17 | kJ/mol | Joback Calculated Property |
| 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 |
| Tboil | 687.07 | K | Joback Calculated Property |
| Tc | 898.02 | K | Joback Calculated Property |
| Tfus | [455.11; 458.40] | K |
|
| Tfus | 455.11 | K | Thermod... |
| Tfus | 458.40 | K | Acetami... |
| 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 |
| Psub | [1.66e-05; 1.98e-03] | kPa | [344.70; 393.50] |
|
| Psub | 1.66e-05 | kPa | 344.70 | Acetami... |
| Psub | 3.37e-05 | kPa | 351.30 | Acetami... |
| Psub | 5.58e-05 | kPa | 357.30 | Acetami... |
| Psub | 1.11e-04 | kPa | 363.50 | Acetami... |
| Psub | 1.16e-04 | kPa | 363.80 | Acetami... |
| Psub | 1.38e-04 | kPa | 366.20 | Acetami... |
| Psub | 8.30e-05 | kPa | 367.17 | Thermod... |
| Psub | 8.30e-05 | kPa | 367.17 | Thermod... |
| Psub | 8.30e-05 | kPa | 367.17 | Thermod... |
| Psub | 1.06e-04 | kPa | 369.28 | Thermod... |
| Psub | 1.08e-04 | kPa | 369.28 | Thermod... |
| Psub | 1.09e-04 | kPa | 369.28 | Thermod... |
| Psub | 2.35e-04 | kPa | 369.70 | Acetami... |
| Psub | 2.43e-04 | kPa | 371.00 | Acetami... |
| Psub | 1.28e-04 | kPa | 371.16 | Thermod... |
| Psub | 1.60e-04 | kPa | 373.16 | Thermod... |
| Psub | 1.63e-04 | kPa | 373.16 | Thermod... |
| Psub | 2.89e-04 | kPa | 373.50 | Acetami... |
| Psub | 2.07e-04 | kPa | 375.26 | Thermod... |
| Psub | 2.10e-04 | kPa | 375.26 | Thermod... |
| Psub | 2.48e-04 | kPa | 377.16 | Thermod... |
| Psub | 2.55e-04 | kPa | 377.16 | Thermod... |
| Psub | 2.58e-04 | kPa | 377.16 | Thermod... |
| Psub | 5.55e-04 | kPa | 377.40 | Acetami... |
| Psub | 3.05e-04 | kPa | 379.19 | Thermod... |
| Psub | 3.03e-04 | kPa | 379.19 | Thermod... |
| Psub | 3.08e-04 | kPa | 379.19 | Thermod... |
| Psub | 5.71e-04 | kPa | 380.00 | Acetami... |
| Psub | 3.85e-04 | kPa | 381.29 | Thermod... |
| Psub | 3.73e-04 | kPa | 381.29 | Thermod... |
| Psub | 3.78e-04 | kPa | 381.29 | Thermod... |
| Psub | 4.38e-04 | kPa | 383.16 | Thermod... |
| Psub | 9.48e-04 | kPa | 383.80 | Acetami... |
| Psub | 5.74e-04 | kPa | 385.15 | Thermod... |
| Psub | 5.61e-04 | kPa | 385.15 | Thermod... |
| Psub | 5.77e-04 | kPa | 385.15 | Thermod... |
| Psub | 1.17e-03 | kPa | 387.20 | Acetami... |
| Psub | 7.80e-04 | kPa | 387.26 | Thermod... |
| Psub | 6.97e-04 | kPa | 387.26 | Thermod... |
| Psub | 7.11e-04 | kPa | 387.26 | Thermod... |
| Psub | 8.29e-04 | kPa | 389.15 | Thermod... |
| Psub | 8.40e-04 | kPa | 389.15 | Thermod... |
| Psub | 8.40e-04 | kPa | 389.15 | Thermod... |
| Psub | 1.52e-03 | kPa | 390.40 | Acetami... |
| Psub | 1.98e-03 | kPa | 393.50 | Acetami... |
Similar Compounds
Find more compounds similar to 2-acetamidobenzoic acid.
Sources
- Crippen Method
- Crippen Method
- 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
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