- InChI
- InChI=1S/C8H9NO2/c1-11-8(10)6-3-2-4-7(9)5-6/h2-5H,9H2,1H3
- InChI Key
- VZDNXXPBYLGWOS-UHFFFAOYSA-N
- Formula
- C8NO2
- SMILES
- COC(=O)c1cccc(N)c1
- Molecular Weight1
- 142.09
- CAS
- 4518-10-9
- Other Names
-
- 3-(methoxycarbonyl)aniline
- 3-aminobenzoic acid methyl ester
- 3-carbomethoxyaniline
- Methyl-3-aminobenzoate
- Methyl-m-aminobenzoate
- m-Aminobenzoic acid, methyl ester
- methyl 3-aminobenzoate
- methyl 3-aminophenylcarboxylate
- methyl m-aminobenzoate
- 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).
- 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).
- Inp : Non-polar retention indices.
- 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° | -48.21 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -194.40 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.80 | kJ/mol | Thermod... |
| ΔvapH° | 56.14 | kJ/mol | Joback Calculated Property |
| log10WS | -1.35 | Crippen Calculated Property | |
| logPoct/wat | 1.055 | Crippen Calculated Property | |
| McVol | 117.240 | ml/mol | McGowan Calculated Property |
| Pc | 4072.51 | kPa | Joback Calculated Property |
| Inp | 1475.00 | NIST | |
| Tboil | 562.92 | K | Joback Calculated Property |
| Tc | 793.64 | K | Joback Calculated Property |
| Tfus | 374.28 | K | Joback Calculated Property |
| Vc | 0.428 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [264.93; 322.15] | J/mol×K | [562.92; 793.64] | 
|
| Cp,gas | 264.93 | J/mol×K | 562.92 | Joback Calculated Property |
| Cp,gas | 276.15 | J/mol×K | 601.37 | Joback Calculated Property |
| Cp,gas | 286.68 | J/mol×K | 639.83 | Joback Calculated Property |
| Cp,gas | 296.53 | J/mol×K | 678.28 | Joback Calculated Property |
| Cp,gas | 305.72 | J/mol×K | 716.73 | Joback Calculated Property |
| Cp,gas | 314.25 | J/mol×K | 755.19 | Joback Calculated Property |
| Cp,gas | 322.15 | J/mol×K | 793.64 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, 3-amino-, methyl ester.
Sources
- Crippen Method
- Crippen Method
- Thermodynamic study of phase transitions in methyl esters of ortho-, meta-, and para-aminobenzoic acids
- Joback Method
- McGowan Method
- NIST Webbook
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