- InChI
- InChI=1S/C7H6ClNO2/c8-6-3-4(9)1-2-5(6)7(10)11/h1-3H,9H2,(H,10,11)
- InChI Key
- MBDUKNCPOPMRJQ-UHFFFAOYSA-N
- Formula
- C7H6ClNO2
- SMILES
- Nc1ccc(C(=O)O)c(Cl)c1
- Molecular Weight1
- 171.58
- CAS
- 2457-76-3
- Other Names
-
- o-Chloro-p-aminobenzoic acid
- 2-Chloro-p-aminobenzoic acid
- 2-Chloro-4-aminobenzoic acid
- 4-Amino-2-chlorobenzoic acid
- USAF nb-1
- 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 | 0.7456 | Relay (1.0) Calculated Property | |
| ΔfG° | -110.01 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -326.98 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.23 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 98.40 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.19 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.05 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.620 | Crippen Calculated Property | |
| McVol | 115.390 | ml/mol | McGowan Calculated Property |
| Pc | 5001.51 | kPa | Joback Calculated Property |
| Tboil | 587.18 | K | Relay (1.0) Calculated Property |
| Tc | 871.17 | K | Relay (1.0) Calculated Property |
| Tfus | 439.37 | K | Relay (1.0) Calculated Property |
| Vc | 0.400 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [257.90; 294.28] | J/mol×K | [652.21; 875.53] | 
|
| Cp,gas | 257.90 | J/mol×K | 652.21 | Joback Calculated Property |
| Cp,gas | 265.20 | J/mol×K | 689.43 | Joback Calculated Property |
| Cp,gas | 271.97 | J/mol×K | 726.65 | Joback Calculated Property |
| Cp,gas | 278.24 | J/mol×K | 763.87 | Joback Calculated Property |
| Cp,gas | 284.04 | J/mol×K | 801.09 | Joback Calculated Property |
| Cp,gas | 289.38 | J/mol×K | 838.31 | Joback Calculated Property |
| Cp,gas | 294.28 | J/mol×K | 875.53 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, 4-amino-2-chloro-.
Sources
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