![2-[(3-Oxo-1,3-dihydro-2-benzofuran-1-yl)amino]benzoic acid](/cid/84-986-5/2-3-Oxo-1-3-dihydro-2-benzofuran-1-yl-amino-benzoic-acid.png "2-[(3-Oxo-1,3-dihydro-2-benzofuran-1-yl)amino]benzoic acid")
- InChI
- InChI=1S/C15H11NO4/c17-14(18)11-7-3-4-8-12(11)16-13-9-5-1-2-6-10(9)15(19)20-13/h1-8,13,16H,(H,17,18)
- InChI Key
- VAWIUWGDQXKJEU-UHFFFAOYSA-N
- Formula
- C15H11NO4
- SMILES
-
O=C(O)c1ccccc1NC1OC(=O)c2ccccc
21 - Molecular Weight1
- 269.25
- CAS
- 42974-40-3
- ω : Acentric Factor.
- 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).
- 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 |
|---|---|---|---|
| ω | 0.8562 | Relay (1.0) Calculated Property | |
| ΔfG° | -43.33 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -499.55 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 38.32 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 128.43 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.09 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.52 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.666 | Crippen Calculated Property | |
| McVol | 188.690 | ml/mol | McGowan Calculated Property |
| Pc | 3452.08 | kPa | Joback Calculated Property |
| Tboil | 648.20 | K | Relay (1.0) Calculated Property |
| Tc | 1040.46 | K | Relay (1.0) Calculated Property |
| Tfus | 463.94 | K | Relay (1.0) Calculated Property |
| Vc | 0.683 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [571.14; 616.86] | J/mol×K | [903.65; 1145.77] | 
|
| Cp,gas | 571.14 | J/mol×K | 903.65 | Joback Calculated Property |
| Cp,gas | 580.97 | J/mol×K | 944.00 | Joback Calculated Property |
| Cp,gas | 589.84 | J/mol×K | 984.36 | Joback Calculated Property |
| Cp,gas | 597.80 | J/mol×K | 1024.71 | Joback Calculated Property |
| Cp,gas | 604.92 | J/mol×K | 1065.06 | Joback Calculated Property |
| Cp,gas | 611.25 | J/mol×K | 1105.42 | Joback Calculated Property |
| Cp,gas | 616.86 | J/mol×K | 1145.77 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-[(3-Oxo-1,3-dihydro-2-benzofuran-1-yl)amino]benzoic acid.
Sources
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