- InChI
- InChI=1S/C10H13NO2/c1-7(2)13-10(12)8-5-3-4-6-9(8)11/h3-7H,11H2,1-2H3
- InChI Key
- XKOZHFJYXAQZJX-UHFFFAOYSA-N
- Formula
- C10H13NO2
- SMILES
- CC(C)OC(=O)c1ccccc1N
- Molecular Weight1
- 179.22
- CAS
- 18189-02-1
- Other Names
-
- Anthranilic acid, isopropyl ester
- Isopropyl anthranilate
- Isopropyl 2-aminobenzoate
- ω : Acentric Factor.
- 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).
- 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.
- 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 |
|---|---|---|---|
| ω | 0.6025 | Relay (1.0) Calculated Property | |
| ΔfG° | -33.81 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -350.54 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 19.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.97 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.96 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.84 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.834 | Crippen Calculated Property | |
| McVol | 145.420 | ml/mol | McGowan Calculated Property |
| Pc | 3261.58 | kPa | Joback Calculated Property |
| Inp | [1466.00; 1466.00] |
|
|
| Inp | 1466.00 | NIST | |
| Inp | 1466.00 | NIST | |
| Tboil | 536.61 | K | Relay (1.0) Calculated Property |
| Tc | 746.89 | K | Relay (1.0) Calculated Property |
| Tfus | 290.01 | K | Relay (1.0) Calculated Property |
| Vc | 0.529 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [357.55; 425.52] | J/mol×K | [608.24; 835.08] |
|
| Cp,gas | 357.55 | J/mol×K | 608.24 | Joback Calculated Property |
| Cp,gas | 370.93 | J/mol×K | 646.05 | Joback Calculated Property |
| Cp,gas | 383.46 | J/mol×K | 683.85 | Joback Calculated Property |
| Cp,gas | 395.16 | J/mol×K | 721.66 | Joback Calculated Property |
| Cp,gas | 406.06 | J/mol×K | 759.47 | Joback Calculated Property |
| Cp,gas | 416.18 | J/mol×K | 797.28 | Joback Calculated Property |
| Cp,gas | 425.52 | J/mol×K | 835.08 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, 2-amino-, 1-methylethyl ester.
Sources
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