- InChI
- InChI=1S/C7H7Cl2N/c8-6-1-2-7(9)5(3-6)4-10/h1-3H,4,10H2
- InChI Key
- AKGJLIXNRPNPCH-UHFFFAOYSA-N
- Formula
- C7H7Cl2N
- SMILES
- NCc1cc(Cl)ccc1Cl
- Molecular Weight1
- 176.04
- CAS
- 10541-69-2
- 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 | 0.4566 | Relay (1.0) Calculated Property | |
| ΔfG° | 143.80 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 4.81 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.74 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.35 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.57 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.40 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.452 | Crippen Calculated Property | |
| McVol | 120.190 | ml/mol | McGowan Calculated Property |
| Pc | 3877.12 | kPa | Joback Calculated Property |
| Tboil | 526.43 | K | Relay (1.0) Calculated Property |
| Tc | 750.34 | K | Relay (1.0) Calculated Property |
| Tfus | 332.59 | K | Relay (1.0) Calculated Property |
| Vc | 0.414 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [232.87; 280.86] | J/mol×K | [543.59; 783.56] | 
|
| Cp,gas | 232.87 | J/mol×K | 543.59 | Joback Calculated Property |
| Cp,gas | 242.40 | J/mol×K | 583.58 | Joback Calculated Property |
| Cp,gas | 251.28 | J/mol×K | 623.58 | Joback Calculated Property |
| Cp,gas | 259.54 | J/mol×K | 663.57 | Joback Calculated Property |
| Cp,gas | 267.20 | J/mol×K | 703.57 | Joback Calculated Property |
| Cp,gas | 274.29 | J/mol×K | 743.56 | Joback Calculated Property |
| Cp,gas | 280.86 | J/mol×K | 783.56 | Joback Calculated Property |
Similar Compounds
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Sources
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