- InChI
- InChI=1S/C6H7ClN2/c7-5-2-1-4(8)3-6(5)9/h1-3H,8-9H2
- InChI Key
- ZWUBBMDHSZDNTA-UHFFFAOYSA-N
- Formula
- C6H7ClN2
- SMILES
- Nc1ccc(Cl)c(N)c1
- Molecular Weight1
- 142.59
- CAS
- 5131-60-2
- Other Names
-
- m-Phenylenediamine, 4-chloro-
- C.I. 76027
- 1-Chloro-2,4-Diaminobenzene
- 4-Chloro-m-phenylenediamine
- 4-Chloro-1,3-benzenediamine
- 4-Chloro-1,3-phenylenediamine
- NCI-C03305
- 4-Chloro-meta-phenylenediamine
- 4-Chlorophene-1,3-diamine
- 4-Chlorophenylene-1,3-diamine
- p-Chlor-m-fenylendiamin
- p-Chloro-m-phenylenediamine
- 4-Cl-m-Pd
- 3-Amino-4-chloroaniline
- NSC 6074
- 4-chlorobenzene-1,3-diamine
- 2,4-Diaminochlorobenzene
- ω : Acentric Factor.
- 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 |
|---|---|---|---|
| ω | 0.5416 | Relay (1.0) Calculated Property | |
| ΔfG° | 213.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 49.48 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 19.15 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.28 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.58 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.98 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.504 | Crippen Calculated Property | |
| McVol | 103.840 | ml/mol | McGowan Calculated Property |
| Pc | 4987.39 | kPa | Joback Calculated Property |
| Tboil | 556.15 | K | Relay (1.0) Calculated Property |
| Tc | 840.26 | K | Relay (1.0) Calculated Property |
| Tfus | 367.20 | K | Relay (1.0) Calculated Property |
| Vc | 0.359 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [216.19; 261.79] | J/mol×K | [555.81; 805.36] | 
|
| Cp,gas | 216.19 | J/mol×K | 555.81 | Joback Calculated Property |
| Cp,gas | 225.31 | J/mol×K | 597.40 | Joback Calculated Property |
| Cp,gas | 233.79 | J/mol×K | 638.99 | Joback Calculated Property |
| Cp,gas | 241.64 | J/mol×K | 680.58 | Joback Calculated Property |
| Cp,gas | 248.91 | J/mol×K | 722.17 | Joback Calculated Property |
| Cp,gas | 255.62 | J/mol×K | 763.77 | Joback Calculated Property |
| Cp,gas | 261.79 | J/mol×K | 805.36 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,3-Benzenediamine, 4-chloro-.
Sources
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