- InChI
- InChI=1S/C7H9NO/c1-9-7-4-2-6(8)3-5-7/h2-5H,8H2,1H3
- InChI Key
- BHAAPTBBJKJZER-UHFFFAOYSA-N
- Formula
- C7H9NO
- SMILES
- COc1ccc(N)cc1
- Molecular Weight1
- 123.15
- CAS
- 104-94-9
- Other Names
-
- p-Anisidine
- p-Aminoanisole
- p-Anisylamine
- p-Methoxyaniline
- p-Methoxyphenylamine
- 4-Aminoanisole
- 4-Anisidine
- 4-Methoxyaniline
- 4-Methoxybenzenamine
- 4-Methoxybenzeneamine
- para-Anisidine
- Aniline, p-methoxy-
- Anisole, p-amino-
- 1-Amino-4-methoxybenzene
- 4-Methoxy-1-aminobenzene
- NSC 7921
- Anisidine
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- 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).
- Inp : Non-polar retention indices.
- 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 |
|---|---|---|---|
| PAff | 900.30 | kJ/mol | NIST |
| BasG | 868.50 | kJ/mol | NIST |
| ΔfG° | 72.29 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -61.18 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 13.92 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 47.17 | kJ/mol | Joback Calculated Property |
| IE | [6.92; 9.39] | eV |
|
| IE | 7.08 | eV | NIST |
| IE | 7.44 | eV | NIST |
| IE | Outlier 9.39 | eV | NIST |
| IE | 6.92 | eV | NIST |
| IE | 7.40 ± 0.10 | eV | NIST |
| IE | 7.82 | eV | NIST |
| IE | 7.58 | eV | NIST |
| IE | 7.58 ± 0.01 | eV | NIST |
| IE | 7.60 ± 0.10 | eV | NIST |
| log10WS | -1.23 | Crippen Calculated Property | |
| logPoct/wat | 1.277 | Crippen Calculated Property | |
| McVol | 101.580 | ml/mol | McGowan Calculated Property |
| Pc | 4249.61 | kPa | Joback Calculated Property |
| Inp | [1174.00; 1199.00] |
|
|
| Inp | 1199.00 | NIST | |
| Inp | 1199.00 | NIST | |
| Inp | 1174.00 | NIST | |
| Inp | 1174.00 | NIST | |
| Inp | 1174.00 | NIST | |
| Tboil | [514.70; 516.15] | K |
|
| Tboil | 514.70 | K | NIST |
| Tboil | 516.15 ± 1.00 | K | NIST |
| Tc | 711.90 | K | Joback Calculated Property |
| Tfus | [330.35; 331.20] | K |
|
| Tfus | 331.20 ± 0.20 | K | NIST |
| Tfus | 330.35 ± 0.50 | K | NIST |
| Vc | 0.366 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [209.54; 267.51] | J/mol×K | [486.17; 711.90] |
|
| Cp,gas | 209.54 | J/mol×K | 486.17 | Joback Calculated Property |
| Cp,gas | 220.65 | J/mol×K | 523.79 | Joback Calculated Property |
| Cp,gas | 231.16 | J/mol×K | 561.41 | Joback Calculated Property |
| Cp,gas | 241.09 | J/mol×K | 599.03 | Joback Calculated Property |
| Cp,gas | 250.46 | J/mol×K | 636.65 | Joback Calculated Property |
| Cp,gas | 259.26 | J/mol×K | 674.27 | Joback Calculated Property |
| Cp,gas | 267.51 | J/mol×K | 711.90 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzenamine, 4-methoxy-.
Sources
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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.