- InChI
- InChI=1S/C8H9NO2/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4H,5,9H2,(H,10,11)
- InChI Key
- CSEWAUGPAQPMDC-UHFFFAOYSA-N
- Formula
- C8H9NO2
- SMILES
- Nc1ccc(CC(=O)O)cc1
- Molecular Weight1
- 151.16
- CAS
- 1197-55-3
- Other Names
-
- Acetic acid, (p-aminophenyl)-
- p-Aminophenylacetic acid
- 4-Aminobenzeneacetic acid
- 4-Aminophenylacetic acid
- (para-Aminophenyl)acetic acid
- p-Amino-«alpha»-toluic acid
- 4-Carboxymethylaniline
- NSC 7929
- 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).
- ΔfusH : Enthalpy of fusion at a given temperature (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 | 0.7515 | Relay (1.0) Calculated Property | |
| ΔfG° | -80.03 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -312.16 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.01 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.74 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.52 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.00 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.896 | Crippen Calculated Property | |
| McVol | 117.240 | ml/mol | McGowan Calculated Property |
| Pc | 4704.19 | kPa | Joback Calculated Property |
| Tboil | 588.06 | K | Relay (1.0) Calculated Property |
| Tc | 827.74 | K | Relay (1.0) Calculated Property |
| Tfus | 430.71 | K | Relay (1.0) Calculated Property |
| Vc | 0.403 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [285.81; 332.13] | J/mol×K | [632.68; 847.92] | 
|
| Cp,gas | 285.81 | J/mol×K | 632.68 | Joback Calculated Property |
| Cp,gas | 294.96 | J/mol×K | 668.55 | Joback Calculated Property |
| Cp,gas | 303.51 | J/mol×K | 704.43 | Joback Calculated Property |
| Cp,gas | 311.48 | J/mol×K | 740.30 | Joback Calculated Property |
| Cp,gas | 318.88 | J/mol×K | 776.17 | Joback Calculated Property |
| Cp,gas | 325.76 | J/mol×K | 812.05 | Joback Calculated Property |
| Cp,gas | 332.13 | J/mol×K | 847.92 | Joback Calculated Property |
| ΔfusH | 42.70 | kJ/mol | 468.20 | NIST |
Similar Compounds
Find more compounds similar to Benzeneacetic acid, 4-amino-.
Sources
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