- InChI
- InChI=1S/C7H7NO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,8H2,(H,9,10)
- InChI Key
- XFDUHJPVQKIXHO-UHFFFAOYSA-N
- Formula
- C7H7NO2
- SMILES
- Nc1cccc(C(=O)O)c1
- Molecular Weight1
- 137.14
- CAS
- 99-05-8
- Other Names
-
- 3-aminobenzoic acid
- 3-carboxyaniline
- Aniline-3-carboxylic acid
- Maba
- benzoic acid, m-amino-
- m-Carboxyaniline
- m-aminobenzoic acid
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,solid : Solid phase heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔsubH° : Enthalpy of sublimation at standard conditions (kJ/mol).
- ΔsubH : Enthalpy of sublimation at a given temperature (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).
- ΔfusS : Entropy of fusion at a given temperature (J/mol×K).
- 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 |
|---|---|---|---|
| PAff | 864.70 | kJ/mol | NIST |
| BasG | 832.30 | kJ/mol | NIST |
| ΔcH°solid | [-3344.00; -3337.60] | kJ/mol |
|
| ΔcH°solid | -3337.60 ± 1.30 | kJ/mol | NIST |
| ΔcH°solid | -3344.00 ± 0.40 | kJ/mol | NIST |
| ΔfG° | -88.45 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -289.30 ± 3.60 | kJ/mol | NIST |
| ΔfH°solid | [-417.30; -411.00] | kJ/mol |
|
| ΔfH°solid | -417.30 ± 1.60 | kJ/mol | NIST |
| ΔfH°solid | -411.00 ± 0.40 | kJ/mol | NIST |
| ΔfusH° | 18.42 | kJ/mol | Joback Calculated Property |
| ΔsubH° | [128.00; 128.00] | kJ/mol |
|
| ΔsubH° | 128.00 ± 3.20 | kJ/mol | NIST |
| ΔsubH° | 128.00 ± 3.20 | kJ/mol | NIST |
| ΔvapH° | 68.18 | kJ/mol | Joback Calculated Property |
| IE | [7.80; 8.40] | eV |
|
| IE | 7.80 | eV | NIST |
| IE | 8.40 ± 0.20 | eV | NIST |
| IE | 8.30 | eV | NIST |
| log10WS | -1.17 | Crippen Calculated Property | |
| logPoct/wat | 0.967 | Crippen Calculated Property | |
| McVol | 103.150 | ml/mol | McGowan Calculated Property |
| Pc | 5390.71 | kPa | Joback Calculated Property |
| Tboil | 609.80 | K | Joback Calculated Property |
| Tc | 828.81 | K | Joback Calculated Property |
| Tfus | [447.20; 452.90] | K |
|
| Tfus | 447.20 | K | Solubil... |
| Tfus | 452.90 ± 0.60 | K | NIST |
| Vc | 0.373 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [240.14; 281.56] | J/mol×K | [609.80; 828.81] |
|
| Cp,gas | 240.14 | J/mol×K | 609.80 | Joback Calculated Property |
| Cp,gas | 248.38 | J/mol×K | 646.30 | Joback Calculated Property |
| Cp,gas | 256.05 | J/mol×K | 682.80 | Joback Calculated Property |
| Cp,gas | 263.18 | J/mol×K | 719.31 | Joback Calculated Property |
| Cp,gas | 269.79 | J/mol×K | 755.81 | Joback Calculated Property |
| Cp,gas | 275.91 | J/mol×K | 792.31 | Joback Calculated Property |
| Cp,gas | 281.56 | J/mol×K | 828.81 | Joback Calculated Property |
| Cp,solid | [162.80; 179.90] | J/mol×K | [298.00; 323.00] |
|
| Cp,solid | 162.80 | J/mol×K | 298.00 | NIST |
| Cp,solid | 179.90 | J/mol×K | 323.00 | NIST |
| ΔfusH | [21.84; 33.70] | kJ/mol | [445.70; 452.90] |
|
| ΔfusH | 33.70 | kJ/mol | 445.70 | NIST |
| ΔfusH | 21.84 | kJ/mol | 452.90 | NIST |
| ΔfusH | 21.84 | kJ/mol | 452.90 | NIST |
| ΔfusH | 21.84 | kJ/mol | 452.90 | NIST |
| ΔsubH | [122.00; 122.00] | kJ/mol | [374.80; 378.00] |
|
| ΔsubH | 122.00 ± 1.00 | kJ/mol | 374.80 | NIST |
| ΔsubH | 122.00 ± 3.00 | kJ/mol | 378.00 | NIST |
| ΔfusS | 48.20 | J/mol×K | 452.90 | NIST |
Similar Compounds
Find more compounds similar to Benzoic acid, 3-amino-.
Mixtures
- Carbon dioxide + Ethanol + Benzoic acid, 3-amino-
- Carbon dioxide + Benzoic acid, 3-amino-
- Carbon dioxide + Benzoic acid, 3-nitro- + Benzoic acid, 3-amino-
Sources
- Crippen Method
- Crippen Method
- Binary and ternary solubility of amino- and nitro-benzoic acids in supercritical carbon dioxide
- Solubility of 3-Aminobenzoic Acid in Supercritical Carbon Dioxide Modified by Ethanol
- Joback Method
- McGowan Method
- NIST Webbook
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