- InChI
- InChI=1S/C15H15NO2/c16-14-9-5-4-8-13(14)15(17)18-11-10-12-6-2-1-3-7-12/h1-9H,10-11,16H2
- InChI Key
- PXWNBAGCFUDYBE-UHFFFAOYSA-N
- Formula
- C15H15NO2
- SMILES
- Nc1ccccc1C(=O)OCCc1ccccc1
- Molecular Weight1
- 241.29
- CAS
- 133-18-6
- Other Names
-
- 2-Phenylethyl 2-aminobenzoate
- 2-Phenylethyl anthranilate
- 2-Phenylethyl o-aminobenzoate
- Anthranilic acid, phenethyl ester
- Anthranilic acid, phenylethyl ester
- Benzylcarbinyl anthranilate
- NSC 66441
- Phenethyl anthranilate
- Phenylethyl anthranilate
- «beta»-Phenethyl o-aminobenzoate
- «beta»-Phenylethyl anthranilate
- 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).
- 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).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -183.71 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 31.86 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 97.44 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.70 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.02 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.668 | Crippen Calculated Property | |
| McVol | 192.110 | ml/mol | McGowan Calculated Property |
| Pc | 2632.55 | kPa | Joback Calculated Property |
| Inp | [2080.00; 2120.00] |
|
|
| Inp | 2080.00 | NIST | |
| Inp | 2088.00 | NIST | |
| Inp | 2088.00 | NIST | |
| Inp | Outlier 2120.00 | NIST | |
| Inp | 2091.00 | NIST | |
| Inp | 2088.00 | NIST | |
| Tboil | 639.84 | K | Relay (1.0) Calculated Property |
| Tfus | 299.89 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [522.83; 592.09] | J/mol×K | [731.89; 973.94] |
|
| Cp,gas | 522.83 | J/mol×K | 731.89 | Joback Calculated Property |
| Cp,gas | 537.39 | J/mol×K | 772.23 | Joback Calculated Property |
| Cp,gas | 550.67 | J/mol×K | 812.57 | Joback Calculated Property |
| Cp,gas | 562.72 | J/mol×K | 852.91 | Joback Calculated Property |
| Cp,gas | 573.60 | J/mol×K | 893.26 | Joback Calculated Property |
| Cp,gas | 583.37 | J/mol×K | 933.60 | Joback Calculated Property |
| Cp,gas | 592.09 | J/mol×K | 973.94 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, 2-amino-, 2-phenylethyl ester.
Sources
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
Take the time to validate and double check the source of the data.
Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.
These property values are available through the Cheméo API. A free account gives you an access key.