- InChI
- InChI=1S/C7H8ClN/c1-5-4-6(8)2-3-7(5)9/h2-4H,9H2,1H3
- InChI Key
- CXNVOWPRHWWCQR-UHFFFAOYSA-N
- Formula
- C7H8ClN
- SMILES
- Cc1cc(Cl)ccc1N
- Molecular Weight1
- 141.60
- Other Names
-
- 2-Amino-5-chlorotoluene
- 2-Methyl-4-chloroaniline
- 3-Chloro-6-aminotoluene
- 4-Chloro-2-methylaniline
- 4-Chloro-2-methylbenzeneamine
- 4-Chloro-2-toluidine
- 4-Chloro-6-methylaniline
- 4-Chloro-o-toluidine
- 5-Chloro-2-aminotoluene
- Amarthol Fast Red TR Base
- Azoene Fast Red TR Base
- Azoic diazo component 11, base
- Brentamine Fast Red TR Base
- Daito Red Base TR
- Deval Red K
- Deval Red TR
- Diazo Fast Red TRA
- Fast Red 5CT Base
- Fast Red Base TR
- Fast Red TR
- Fast Red TR Base
- Fast Red TR-T Base
- Fast Red TR11
- Fast Red TRO Base
- Kako Red TR Base
- Kambamine Red TR
- Mitsui Red TR Base
- NSC 4979
- Red Base Ciba IX
- Red Base Irga IX
- Red Base NTR
- Red TR base
- Sanyo Fast Red TR Base
- Tulabase Fast Red TR
- o-Toluidine, 4-chloro-
- p-Chloro-o-toluidine
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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.
- I : Polar retention indices.
- 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 | 0.4519 | Relay (1.0) Calculated Property | |
| ΔfH°gas | 15.38 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.54 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.09 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.83 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.96 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.231 | Crippen Calculated Property | |
| McVol | 107.950 | ml/mol | McGowan Calculated Property |
| Pc | 4062.13 | kPa | Joback Calculated Property |
| Inp | [1247.30; 1256.00] |
|
|
| Inp | 1247.30 | NIST | |
| Inp | 1256.00 | NIST | |
| Inp | 1256.00 | NIST | |
| Inp | 1256.00 | NIST | |
| I | [2155.00; 2155.00] |
|
|
| I | 2155.00 | NIST | |
| I | 2155.00 | NIST | |
| Tboil | 514.20 | K | NIST |
| Tc | 734.17 | K | Relay (1.0) Calculated Property |
| Tfus | 321.12 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation 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 | [135.60; 300.10] | 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 | 1.06000e+01 | |||
| Coefficient B | 5.39620e-01 | |||
| Coefficient C | -3.17920e-04 | |||
| Coefficient D | 6.78000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 135.60 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 164.72 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 190.62 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 213.53 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 233.66 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 251.23 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 266.44 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 279.51 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 290.66 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 300.10 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzenamine, 4-chloro-2-methyl-.
Sources
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