- InChI
- InChI=1S/C7H7NO3/c8-6-4(7(10)11)2-1-3-5(6)9/h1-3,9H,8H2,(H,10,11)
- InChI Key
- WJXSWCUQABXPFS-UHFFFAOYSA-N
- Formula
- C7H7NO3
- SMILES
- Nc1c(O)cccc1C(=O)O
- Molecular Weight1
- 153.14
- CAS
- 548-93-6
- Other Names
-
- Anthranilic acid, 3-hydroxy-
- 2-Amino-3-hydroxybenzoic acid
- 3-Hydroxyanthranilic acid
- 3-Hydroxy-anthranilsaeure
- 3-Ohaa
- 3-Oxyanthranilic acid
- 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 | 0.8276 | Relay (1.0) Calculated Property | |
| ΔfG° | -243.07 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -458.93 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 24.21 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 104.47 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.92 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.52 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.673 | Crippen Calculated Property | |
| McVol | 109.020 | ml/mol | McGowan Calculated Property |
| Pc | 6796.39 | kPa | Joback Calculated Property |
| Tboil | 576.71 | K | Relay (1.0) Calculated Property |
| Tc | 891.33 | K | Relay (1.0) Calculated Property |
| Tfus | 507.43 | K | Relay (1.0) Calculated Property |
| Vc | 0.368 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [277.00; 313.51] | J/mol×K | [690.42; 918.13] | 
|
| Cp,gas | 277.00 | J/mol×K | 690.42 | Joback Calculated Property |
| Cp,gas | 283.98 | J/mol×K | 728.37 | Joback Calculated Property |
| Cp,gas | 290.51 | J/mol×K | 766.32 | Joback Calculated Property |
| Cp,gas | 296.65 | J/mol×K | 804.27 | Joback Calculated Property |
| Cp,gas | 302.48 | J/mol×K | 842.23 | Joback Calculated Property |
| Cp,gas | 308.08 | J/mol×K | 880.18 | Joback Calculated Property |
| Cp,gas | 313.51 | J/mol×K | 918.13 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, 2-amino-3-hydroxy-.
Sources
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