- InChI
- InChI=1S/C7H8ClN/c1-5-2-3-6(9)4-7(5)8/h2-4H,9H2,1H3
- InChI Key
- RQKFYFNZSHWXAW-UHFFFAOYSA-N
- Formula
- C7H8ClN
- SMILES
- Cc1ccc(N)cc1Cl
- Molecular Weight1
- 141.60
- CAS
- 95-74-9
- Other Names
-
- p-Toluidine, 3-chloro-
- DRC 1347
- 1-Amino-3-Chloro-4-methylbenzene
- 2-Chloro-4-aminotoluene
- 3-Chloro-p-toluidine
- 3-Chloro-4-methylaniline
- 3-Chloro-4-methylbenzenamine
- 4-Methyl-3-chloroaniline
- 3-Chloro-4-toluidine
- 4-Amino-2-chlorotoluene
- DRC 1339
- NCI-C02040
- 3-Chloro-4-methylphenylamine
- NSC 96620
- 2-chloro-4-toluidine
- ΔcH°liquid : Standard liquid enthalpy of combustion (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).
- ΔfH°liquid : Liquid phase 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).
- 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).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔcH°liquid | -3607.00 ± 6.70 | kJ/mol | NIST |
| ΔfG° | 155.73 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 75.30 ± 7.10 | kJ/mol | NIST |
| ΔfH°liquid | 23.00 ± 6.70 | kJ/mol | NIST |
| ΔfusH° | 16.54 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.80 | kJ/mol | Joback Calculated Property |
| log10WS | -2.27 | Crippen 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 | [1257.30; 1257.30] |
|
|
| Inp | 1257.30 | NIST | |
| Inp | 1257.30 | NIST | |
| I | [1957.00; 1957.00] |
|
|
| I | 1957.00 | NIST | |
| I | 1957.00 | NIST | |
| I | 1957.00 | NIST | |
| Tboil | 510.70 | K | NIST |
| Tc | 741.33 | K | Joback Calculated Property |
| Tfus | 333.29 | K | Joback Calculated Property |
| Vc | 0.398 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [211.08; 263.54] | J/mol×K | [506.16; 741.33] |
|
| Cp,gas | 211.08 | J/mol×K | 506.16 | Joback Calculated Property |
| Cp,gas | 221.33 | J/mol×K | 545.35 | Joback Calculated Property |
| Cp,gas | 230.94 | J/mol×K | 584.55 | Joback Calculated Property |
| Cp,gas | 239.95 | J/mol×K | 623.74 | Joback Calculated Property |
| Cp,gas | 248.37 | J/mol×K | 662.94 | Joback Calculated Property |
| Cp,gas | 256.22 | J/mol×K | 702.13 | Joback Calculated Property |
| Cp,gas | 263.54 | J/mol×K | 741.33 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzenamine, 3-chloro-4-methyl-.
Sources
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