- InChI
- InChI=1S/C14H13NO2/c15-13-9-5-4-8-12(13)14(16)17-10-11-6-2-1-3-7-11/h1-9H,10,15H2
- InChI Key
- ZHZPDMZPDWXVMJ-UHFFFAOYSA-N
- Formula
- C14H13NO2
- SMILES
- Nc1ccccc1C(=O)OCc1ccccc1
- Molecular Weight1
- 227.26
- CAS
- 82185-41-9
- Other Names
-
- Benzyl anthranilate
- 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).
- 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 | 0.6705 | Relay (1.0) Calculated Property | |
| ΔfG° | 114.72 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -152.16 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 27.69 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.88 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.73 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.77 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.626 | Crippen Calculated Property | |
| McVol | 178.020 | ml/mol | McGowan Calculated Property |
| Pc | 3045.68 | kPa | Joback Calculated Property |
| Tboil | 618.98 | K | Relay (1.0) Calculated Property |
| Tc | 898.60 | K | Relay (1.0) Calculated Property |
| Tfus | 307.97 | K | Relay (1.0) Calculated Property |
| Vc | 0.642 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [473.91; 540.46] | J/mol×K | [726.88; 975.56] | 
|
| Cp,gas | 473.91 | J/mol×K | 726.88 | Joback Calculated Property |
| Cp,gas | 487.82 | J/mol×K | 768.33 | Joback Calculated Property |
| Cp,gas | 500.54 | J/mol×K | 809.77 | Joback Calculated Property |
| Cp,gas | 512.10 | J/mol×K | 851.22 | Joback Calculated Property |
| Cp,gas | 522.57 | J/mol×K | 892.67 | Joback Calculated Property |
| Cp,gas | 532.01 | J/mol×K | 934.11 | Joback Calculated Property |
| Cp,gas | 540.46 | J/mol×K | 975.56 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, 2-amino-, phenylmethyl ester.
Sources
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