- 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
-
- Anthranilic acid, phenethyl ester
- Benzylcarbinyl anthranilate
- Phenethyl anthranilate
- Phenylethyl anthranilate
- 2-Phenylethyl anthranilate
- 2-Phenylethyl o-aminobenzoate
- «beta»-Phenylethyl anthranilate
- «beta»-Phenethyl o-aminobenzoate
- 2-Phenylethyl 2-aminobenzoate
- Anthranilic acid, phenylethyl ester
- NSC 66441
- 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 | 0.7159 | Relay (1.0) Calculated Property | |
| ΔfG° | 123.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -183.71 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 30.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 97.14 | 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 | 2746.90 | kPa | Joback Calculated Property |
| Inp | [2080.00; 2120.00] |
|
|
| Inp | 2080.00 | NIST | |
| Inp | 2088.00 | NIST | |
| Inp | 2088.00 | NIST | |
| Inp | 2120.00 | NIST | |
| Inp | 2091.00 | NIST | |
| Inp | 2088.00 | NIST | |
| Inp | 2120.00 | NIST | |
| Inp | 2091.00 | NIST | |
| Tboil | 639.84 | K | Relay (1.0) Calculated Property |
| Tc | 905.13 | K | Relay (1.0) Calculated Property |
| Tfus | 301.29 | K | Relay (1.0) Calculated Property |
| Vc | 0.694 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [526.49; 595.22] | J/mol×K | [749.76; 993.25] |
|
| Cp,gas | 526.49 | J/mol×K | 749.76 | Joback Calculated Property |
| Cp,gas | 540.79 | J/mol×K | 790.34 | Joback Calculated Property |
| Cp,gas | 553.88 | J/mol×K | 830.92 | Joback Calculated Property |
| Cp,gas | 565.80 | J/mol×K | 871.51 | Joback Calculated Property |
| Cp,gas | 576.63 | J/mol×K | 912.09 | Joback Calculated Property |
| Cp,gas | 586.42 | J/mol×K | 952.67 | Joback Calculated Property |
| Cp,gas | 595.22 | J/mol×K | 993.25 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, 2-amino-, 2-phenylethyl ester.
Sources
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