- InChI
- InChI=1S/C9H9NO2/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6H,10H2,(H,11,12)/b6-5+
- InChI Key
- KMBQKHKEEHEPOE-AATRIKPKSA-N
- Formula
- C9H9NO2
- SMILES
- Nc1ccccc1C=CC(=O)O
- Molecular Weight1
- 163.17
- 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 | 0.7393 | Relay (1.0) Calculated Property | |
| ΔfG° | 8.61 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -258.73 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 23.80 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 101.26 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.70 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.67 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.367 | Crippen Calculated Property | |
| McVol | 127.030 | ml/mol | McGowan Calculated Property |
| Pc | 4432.62 | kPa | Joback Calculated Property |
| Tboil | 599.25 | K | Relay (1.0) Calculated Property |
| Tc | 830.36 | K | Relay (1.0) Calculated Property |
| Tfus | 434.88 | K | Relay (1.0) Calculated Property |
| Vc | 0.423 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [310.42; 356.90] | J/mol×K | [659.72; 879.89] | 
|
| Cp,gas | 310.42 | J/mol×K | 659.72 | Joback Calculated Property |
| Cp,gas | 319.65 | J/mol×K | 696.41 | Joback Calculated Property |
| Cp,gas | 328.23 | J/mol×K | 733.11 | Joback Calculated Property |
| Cp,gas | 336.20 | J/mol×K | 769.80 | Joback Calculated Property |
| Cp,gas | 343.60 | J/mol×K | 806.50 | Joback Calculated Property |
| Cp,gas | 350.48 | J/mol×K | 843.19 | Joback Calculated Property |
| Cp,gas | 356.90 | J/mol×K | 879.89 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (2E)-3-(2-aminophenyl)-2-propenoic acid.
Sources
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