- InChI
- InChI=1S/C9H11NO2/c1-2-12-9(11)7-4-3-5-8(10)6-7/h3-6H,2,10H2,1H3
- InChI Key
- ZMCBYSBVJIMENC-UHFFFAOYSA-N
- Formula
- C9H11NO2
- SMILES
- CCOC(=O)c1cccc(N)c1
- Molecular Weight1
- 165.19
- CAS
- 582-33-2
- Other Names
-
- 3-(ethoxycarbonyl)aniline
- 3-carbethoxyaniline
- 3-ethoxycarbonylbenzeneamine
- Benzoic acid, m-amino-, ethyl ester
- ethyl 3-aminobenzoate
- ethyl m-aminobenzoate
- ethyl meta-aminobenzoate
- m-Aminobenzoic acid, ethyl ester
- m-ethoxycarbonylaniline
- meta-ethoxycarbonylaniline
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- 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 |
|---|---|---|---|
| ΔfG° | -39.79 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -215.04 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 20.70 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.36 | kJ/mol | Joback Calculated Property |
| log10WS | -1.77 | Crippen Calculated Property | |
| logPoct/wat | 1.446 | Crippen Calculated Property | |
| McVol | 131.330 | ml/mol | McGowan Calculated Property |
| Pc | 3615.89 | kPa | Joback Calculated Property |
| Tboil | [567.00; 567.20] | K |
|
| Tboil | 567.20 | K | NIST |
| Tboil | 567.00 | K | NIST |
| Tc | 812.12 | K | Joback Calculated Property |
| Tfus | 385.55 | K | Joback Calculated Property |
| Vc | 0.484 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [310.15; 372.45] | J/mol×K | [585.80; 812.12] |
|
| Cp,gas | 310.15 | J/mol×K | 585.80 | Joback Calculated Property |
| Cp,gas | 322.35 | J/mol×K | 623.52 | Joback Calculated Property |
| Cp,gas | 333.81 | J/mol×K | 661.24 | Joback Calculated Property |
| Cp,gas | 344.53 | J/mol×K | 698.96 | Joback Calculated Property |
| Cp,gas | 354.54 | J/mol×K | 736.68 | Joback Calculated Property |
| Cp,gas | 363.84 | J/mol×K | 774.40 | Joback Calculated Property |
| Cp,gas | 372.45 | J/mol×K | 812.12 | Joback Calculated Property |
| ΔvapH | 83.18 | kJ/mol | 298.15 | Thermal... |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | [417.00; 446.70] | K | [0.70; 1.70] |
|
| Tboilr | 417.00 | K | 0.70 | NIST |
| Tboilr | 446.70 | K | 1.70 | NIST |
Similar Compounds
Find more compounds similar to Benzoic acid, 3-amino-, ethyl ester.
Sources
- Crippen Method
- Crippen Method
- Thermal and structural properties of ethyl 2- and 3-aminobenzoates: Experimental and computational approaches
- Joback Method
- McGowan Method
- NIST Webbook
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