- InChI
- InChI=1S/C8H9NO3/c1-12-7-3-2-5(8(10)11)4-6(7)9/h2-4H,9H2,1H3,(H,10,11)
- InChI Key
- FDGAEAYZQQCBRN-UHFFFAOYSA-N
- Formula
- C8H8NO3
- SMILES
- COc1ccc(C(=O)O)cc1N
- Molecular Weight1
- 166.15
- CAS
- 2840-26-8
- Other Names
-
- 3-Amino-4-anisic acid
- 3-Amino-4-methoxybenzoic
- 3-Amino-p-anisic acid
- Benzoic acid, 3-amino-4-methoxy-
- Kyselina 3-amino-4-methoxybenzoova
- p-Anisic acid, 3-amino-
- 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).
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -194.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -358.10 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 25.34 | kJ/mol | Thermod... |
| ΔsubH° | 130.70 ± 0.80 | kJ/mol | NIST |
| ΔvapH° | 73.48 | kJ/mol | Joback Calculated Property |
| log10WS | -1.29 | Crippen Calculated Property | |
| logPoct/wat | 0.976 | Crippen Calculated Property | |
| McVol | 123.110 | ml/mol | McGowan Calculated Property |
| Pc | 4504.30 | kPa | Joback Calculated Property |
| Tboil | 660.08 | K | Joback Calculated Property |
| Tc | 873.76 | K | Joback Calculated Property |
| Tfus | 447.62 | K | Joback Calculated Property |
| Vc | 0.448 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [306.33; 351.78] | J/mol×K | [660.08; 873.76] | 
|
| Cp,gas | 306.33 | J/mol×K | 660.08 | Joback Calculated Property |
| Cp,gas | 315.27 | J/mol×K | 695.69 | Joback Calculated Property |
| Cp,gas | 323.66 | J/mol×K | 731.31 | Joback Calculated Property |
| Cp,gas | 331.50 | J/mol×K | 766.92 | Joback Calculated Property |
| Cp,gas | 338.80 | J/mol×K | 802.53 | Joback Calculated Property |
| Cp,gas | 345.56 | J/mol×K | 838.14 | Joback Calculated Property |
| Cp,gas | 351.78 | J/mol×K | 873.76 | Joback Calculated Property |
| ΔfusH | 25.34 | kJ/mol | 477.90 | NIST |
| ΔsubH | 127.40 ± 0.80 | kJ/mol | 389.50 | NIST |
Similar Compounds
Find more compounds similar to 3-Amino-4-methoxybenzoic acid.
Sources
- Crippen Method
- Crippen Method
- Thermodynamic Study on the Sublimation of Five Aminomethoxybenzoic Acids
- Joback Method
- McGowan Method
- NIST Webbook
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