- InChI
- InChI=1S/C8H9NO2/c1-9-7-4-2-6(3-5-7)8(10)11/h2-5,9H,1H3,(H,10,11)
- InChI Key
- ZVIDMSBTYRSMAR-UHFFFAOYSA-N
- Formula
- C8H9NO2
- SMILES
- CNc1ccc(C(=O)O)cc1
- Molecular Weight1
- 151.16
- CAS
- 10541-83-0
- Other Names
-
- Benzoic acid, p-(methylamino)-
- p-(Methylamino)benzoic acid
- N-Methyl-4-aminobenzoic acid
- 4-(Methylamino)benzoic acid
- 4-(N-Methylamino)benzoic acid
- p-(N-Methylamino)benzoic acid
- 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 |
|---|---|---|---|
| ΔfG° | -57.09 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -194.73 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 20.91 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.20 | kJ/mol | Joback Calculated Property |
| IE | [7.30; 8.10] | eV |
|
| IE | 7.30 | eV | NIST |
| IE | 8.10 | eV | NIST |
| log10WS | -1.54 | Crippen Calculated Property | |
| logPoct/wat | 1.426 | Crippen Calculated Property | |
| McVol | 117.240 | ml/mol | McGowan Calculated Property |
| Pc | 4432.62 | kPa | Joback Calculated Property |
| Tboil | 610.32 | K | Joback Calculated Property |
| Tc | 817.72 | K | Joback Calculated Property |
| Tfus | 382.27 | K | Joback Calculated Property |
| Vc | 0.435 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [278.76; 327.05] | J/mol×K | [610.32; 817.72] |
|
| Cp,gas | 278.76 | J/mol×K | 610.32 | Joback Calculated Property |
| Cp,gas | 288.23 | J/mol×K | 644.89 | Joback Calculated Property |
| Cp,gas | 297.10 | J/mol×K | 679.45 | Joback Calculated Property |
| Cp,gas | 305.39 | J/mol×K | 714.02 | Joback Calculated Property |
| Cp,gas | 313.13 | J/mol×K | 748.59 | Joback Calculated Property |
| Cp,gas | 320.34 | J/mol×K | 783.15 | Joback Calculated Property |
| Cp,gas | 327.05 | J/mol×K | 817.72 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, 4-(methylamino)-.
Sources
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