- InChI
- InChI=1S/C8H9NO2/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5H,9H2,1H3
- InChI Key
- VAMXMNNIEUEQDV-UHFFFAOYSA-N
- Formula
- C8H9NO2
- SMILES
- COC(=O)c1ccccc1N
- Molecular Weight1
- 151.16
- CAS
- 134-20-3
- Other Names
-
- 2-(Methoxycarbonyl)aniline
- 2-Aminobenzoic acid methyl ester
- 2-Carbomethoxyaniline
- 2-aminobenzoic acid, methyl ester
- Benzoic acid, 2-amino-, methyl ester
- Methyl anthranylate
- Methyl ester of o-Aminobenzoic acid
- Methyl o-aminobenzoate
- Methylester kyseliny anthranilove
- NSC 3109
- Neroli oil, artifical
- Neroli oil, artificial
- Nevoli oil
- anthranilic acid, methyl ester
- methyl 2-aminobenzoate
- o-Amino methyl benzoate
- o-Aminobenzoic acid, methyl ester
- o-Carbomethoxyaniline
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔsubH : Enthalpy of sublimation at a given temperature (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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 | 0.5586 | Relay (1.0) Calculated Property | |
| ΔfH°gas | -280.47 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.90 | kJ/mol | Thermodynamic study of phase transitions in methyl esters of ortho-, meta-, and para-aminobenzoic acids |
| ΔvapH° | 69.50 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.90 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.37 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.055 | Crippen Calculated Property | |
| McVol | 117.240 | ml/mol | McGowan Calculated Property |
| Pc | 3867.48 | kPa | Joback Calculated Property |
| Inp | [1290.00; 1373.00] |
|
|
| Inp | 1298.00 | NIST | |
| Inp | 1306.30 | NIST | |
| Inp | 1328.00 | NIST | |
| Inp | 1313.00 | NIST | |
| Inp | 1337.00 | NIST | |
| Inp | 1343.00 | NIST | |
| Inp | Outlier 1373.00 | NIST | |
| Inp | 1338.00 | NIST | |
| Inp | 1332.00 | NIST | |
| Inp | 1354.00 | NIST | |
| Inp | 1338.00 | NIST | |
| Inp | 1342.00 | NIST | |
| Inp | 1332.00 | NIST | |
| Inp | 1328.00 | NIST | |
| Inp | 1316.00 | NIST | |
| Inp | 1320.00 | NIST | |
| Inp | 1329.00 | NIST | |
| Inp | 1336.00 | NIST | |
| Inp | 1325.00 | NIST | |
| Inp | 1346.90 | NIST | |
| Inp | 1345.20 | NIST | |
| Inp | 1360.70 | NIST | |
| Inp | 1341.00 | NIST | |
| Inp | 1345.00 | NIST | |
| Inp | 1346.00 | NIST | |
| Inp | 1346.00 | NIST | |
| Inp | 1343.00 | NIST | |
| Inp | 1347.00 | NIST | |
| Inp | 1331.00 | NIST | |
| Inp | 1337.00 | NIST | |
| Inp | 1341.00 | NIST | |
| Inp | 1363.00 | NIST | |
| Inp | 1346.00 | NIST | |
| Inp | 1317.00 | NIST | |
| Inp | 1320.00 | NIST | |
| Inp | Outlier 1296.00 | NIST | |
| Inp | 1332.00 | NIST | |
| Inp | 1311.00 | NIST | |
| Inp | 1312.00 | NIST | |
| Inp | 1318.00 | NIST | |
| Inp | 1327.00 | NIST | |
| Inp | 1301.00 | NIST | |
| Inp | 1314.00 | NIST | |
| Inp | Outlier 1372.00 | NIST | |
| Inp | 1328.00 | NIST | |
| Inp | 1343.00 | NIST | |
| Inp | 1332.00 | NIST | |
| Inp | 1343.00 | NIST | |
| Inp | 1343.00 | NIST | |
| Inp | 1343.00 | NIST | |
| Inp | Outlier 1290.00 | NIST | |
| Inp | 1315.00 | NIST | |
| Inp | 1332.00 | NIST | |
| Inp | 1332.00 | NIST | |
| Inp | 1309.00 | NIST | |
| Inp | 1343.00 | NIST | |
| Inp | 1343.00 | NIST | |
| Inp | Outlier 1373.00 | NIST | |
| Inp | 1342.00 | NIST | |
| Inp | 1329.00 | NIST | |
| Inp | 1346.90 | NIST | |
| I | [2181.00; 2270.00] |
|
|
| I | 2194.00 | NIST | |
| I | 2188.00 | NIST | |
| I | 2254.00 | NIST | |
| I | 2197.00 | NIST | |
| I | 2206.00 | NIST | |
| I | 2189.00 | NIST | |
| I | 2197.00 | NIST | |
| I | 2198.00 | NIST | |
| I | 2259.00 | NIST | |
| I | 2236.00 | NIST | |
| I | 2232.00 | NIST | |
| I | 2247.00 | NIST | |
| I | 2226.00 | NIST | |
| I | 2260.00 | NIST | |
| I | 2257.00 | NIST | |
| I | 2270.00 | NIST | |
| I | 2181.00 | NIST | |
| I | 2181.00 | NIST | |
| I | 2265.00 | NIST | |
| I | 2248.00 | NIST | |
| I | 2244.00 | NIST | |
| I | 2248.00 | NIST | |
| I | 2255.00 | NIST | |
| I | 2225.00 | NIST | |
| I | 2255.00 | NIST | |
| I | 2213.00 | NIST | |
| I | 2246.00 | NIST | |
| I | 2216.00 | NIST | |
| I | 2181.00 | NIST | |
| I | 2229.00 | NIST | |
| I | 2197.00 | NIST | |
| I | 2265.00 | NIST | |
| I | 2181.00 | NIST | |
| I | 2262.00 | NIST | |
| I | 2233.00 | NIST | |
| I | 2181.00 | NIST | |
| I | 2236.00 | NIST | |
| I | 2257.00 | NIST | |
| I | 2248.00 | NIST | |
| I | 2255.00 | NIST | |
| Tboil | 529.20 | K | NIST |
| Tc | 753.43 | K | Relay (1.0) Calculated Property |
| Tfus | [297.50; 298.65] | K |
|
| Tfus | 297.50 ± 0.50 | K | NIST |
| Tfus | 298.65 ± 1.00 | K | NIST |
| Tfus | 297.60 ± 0.02 | K | NIST |
| Vc | 0.412 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [262.54; 320.87] | J/mol×K | [545.05; 773.29] |
|
| Cp,gas | 262.54 | J/mol×K | 545.05 | Joback Calculated Property |
| Cp,gas | 274.08 | J/mol×K | 583.09 | Joback Calculated Property |
| Cp,gas | 284.87 | J/mol×K | 621.13 | Joback Calculated Property |
| Cp,gas | 294.94 | J/mol×K | 659.17 | Joback Calculated Property |
| Cp,gas | 304.28 | J/mol×K | 697.21 | Joback Calculated Property |
| Cp,gas | 312.93 | J/mol×K | 735.25 | Joback Calculated Property |
| Cp,gas | 320.87 | J/mol×K | 773.29 | Joback Calculated Property |
| ΔsubH | 78.40 | kJ/mol | 292.50 | NIST |
| ΔvapH | 62.30 | kJ/mol | 316.00 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 406.60 | K | 2.00 | NIST |
Similar Compounds
Find more compounds similar to Methyl anthranilate.
Mixtures
- Methyl anthranilate + Water
- Methyl anthranilate + Methyl Alcohol + Water
- Toluene + Methyl anthranilate + Water
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Liquid-liquid equilibria for systems of water + methanol + methyl anthranilate at several temperatures
- Thermodynamic study of phase transitions in methyl esters of ortho-, meta-, and para-aminobenzoic acids
- Ternary and Quaternary Liquid Liquid Equilibria for Systems of Water + Methanol + Methylanthranilate + Toluene at Different Temperatures
- Joback Method
- McGowan Method
- NIST Webbook
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