- InChI
- InChI=1S/C8H11NO/c1-6-5-7(10-2)3-4-8(6)9/h3-5H,9H2,1-2H3
- InChI Key
- CDGNLUSBENXDGG-UHFFFAOYSA-N
- Formula
- C8H11NO
- SMILES
- COc1ccc(N)c(C)c1
- Molecular Weight1
- 137.18
- CAS
- 102-50-1
- Other Names
-
- p-Anisidine, 2-methyl-
- 2-Methyl-p-anisidine
- 2-Methyl-4-methoxyaniline
- 4-Methoxy-2-methylaniline
- m-Cresidine
- NCI-C02993
- 4-Methoxy-2-methylbenzenamine
- 4-methoxy-o-toluidine
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.5373 | Relay (1.0) Calculated Property | |
| ΔfusH° | 16.12 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.20 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.42 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 1.586 | Crippen Calculated Property | |
| McVol | 115.670 | ml/mol | McGowan Calculated Property |
| Pc | 3695.46 | kPa | Joback Calculated Property |
| Tboil | 521.70 | K | NIST |
| Tc | 727.03 | K | Relay (1.0) Calculated Property |
| Tfus | 298.80 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [158.81; 361.92] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 2.23000e+01 | |||
| Coefficient B | 5.64640e-01 | |||
| Coefficient C | -2.40920e-04 | |||
| Coefficient D | 1.59000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 158.81 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 192.61 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 223.48 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 251.47 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 276.65 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 299.05 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 318.72 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 335.73 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 350.11 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 361.92 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzenamine, 4-methoxy-2-methyl-.
Sources
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