- InChI
- InChI=1S/C9H11NO2/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5H,3,6,10H2,(H,11,12)
- InChI Key
- WXOHKMNWMKZMND-UHFFFAOYSA-N
- Formula
- C9H11NO2
- SMILES
- Nc1ccc(CCC(=O)O)cc1
- Molecular Weight1
- 165.19
- CAS
- 2393-17-1
- Other Names
-
- «beta»-(p-Aminophenyl)propionic acid
- p-Aminohydrocinnamic acid
- Benzenepropanoic acid, 4-amino-
- 3-(p-aminophenyl)propionic acid
- 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 | 0.7916 | Relay (... Calculated Property | |
| ΔfG° | -71.61 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -324.45 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 23.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 103.07 | kJ/mol | Relay (... Calculated Property |
| IE | 7.72 | eV | Relay (... Calculated Property |
| log10WS | -1.25 | Relay (... Calculated Property | |
| logPoct/wat | 1.286 | Crippen Calculated Property | |
| McVol | 131.330 | ml/mol | McGowan Calculated Property |
| Pc | 4140.93 | kPa | Joback Calculated Property |
| Tboil | 593.91 | K | Relay (... Calculated Property |
| Tc | 829.08 | K | Relay (... Calculated Property |
| Tfus | 413.78 | K | Relay (... Calculated Property |
| Vc | 0.458 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [333.06; 383.70] | J/mol×K | [655.56; 867.32] | 
|
| Cp,gas | 333.06 | J/mol×K | 655.56 | Joback Calculated Property |
| Cp,gas | 343.03 | J/mol×K | 690.85 | Joback Calculated Property |
| Cp,gas | 352.35 | J/mol×K | 726.15 | Joback Calculated Property |
| Cp,gas | 361.05 | J/mol×K | 761.44 | Joback Calculated Property |
| Cp,gas | 369.15 | J/mol×K | 796.73 | Joback Calculated Property |
| Cp,gas | 376.69 | J/mol×K | 832.03 | Joback Calculated Property |
| Cp,gas | 383.70 | J/mol×K | 867.32 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to «beta»-(4-Aminophenyl)propionic acid.
Sources
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