- InChI
- InChI=1S/C16H15NO2/c17-15-11-5-4-10-14(15)16(18)19-12-6-9-13-7-2-1-3-8-13/h1-11H,12,17H2
- InChI Key
- GABQNAFEZZDSCM-UHFFFAOYSA-N
- Formula
- C16H15NO2
- SMILES
- Nc1ccccc1C(=O)OCC=Cc1ccccc1
- Molecular Weight1
- 253.30
- 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 | 0.6706 | Relay (1.0) Calculated Property | |
| ΔfG° | 211.78 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -120.86 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 33.07 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 101.01 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.55 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.04 | Aq. Solubility Prediction | |
| logPoct/wat | 3.139 | Crippen Calculated Property | |
| McVol | 201.900 | ml/mol | McGowan Calculated Property |
| Pc | 2624.46 | kPa | Joback Calculated Property |
| Tboil | 647.45 | K | Relay (1.0) Calculated Property |
| Tc | 925.84 | K | Relay (1.0) Calculated Property |
| Tfus | 342.49 | K | Relay (1.0) Calculated Property |
| Vc | 0.705 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [554.80; 622.79] | J/mol×K | [776.80; 1024.47] | 
|
| Cp,gas | 554.80 | J/mol×K | 776.80 | Joback Calculated Property |
| Cp,gas | 568.83 | J/mol×K | 818.08 | Joback Calculated Property |
| Cp,gas | 581.66 | J/mol×K | 859.36 | Joback Calculated Property |
| Cp,gas | 593.39 | J/mol×K | 900.64 | Joback Calculated Property |
| Cp,gas | 604.10 | J/mol×K | 941.92 | Joback Calculated Property |
| Cp,gas | 613.87 | J/mol×K | 983.20 | Joback Calculated Property |
| Cp,gas | 622.79 | J/mol×K | 1024.47 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-phenylprop-2-enyl 2-aminobenzoate.
Sources
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