- InChI
- InChI=1S/C7H3Cl2N/c8-6-1-5(4-10)2-7(9)3-6/h1-3H
- InChI Key
- PUJSUOGJGIECFQ-UHFFFAOYSA-N
- Formula
- C7H3Cl2N
- SMILES
- N#Cc1cc(Cl)cc(Cl)c1
- Molecular Weight1
- 172.01
- CAS
- 6575-00-4
- Other Names
-
- Benzonitrile, 3,5-dichloro-
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- EA : Electron affinity (eV).
- 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).
- 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 |
|---|---|---|---|
| EA | [0.80; 0.83] | eV |
|
| EA | 0.80 ± 0.09 | eV | NIST |
| EA | 0.83 ± 0.09 | eV | NIST |
| ΔfG° | 210.53 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 159.18 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.05 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.02 | kJ/mol | Joback Calculated Property |
| log10WS | -3.19 | Crippen Calculated Property | |
| logPoct/wat | 2.865 | Crippen Calculated Property | |
| McVol | 111.590 | ml/mol | McGowan Calculated Property |
| Pc | 3509.58 | kPa | Joback Calculated Property |
| Tboil | 573.14 | K | Joback Calculated Property |
| Tc | 820.89 | K | Joback Calculated Property |
| Tfus | 344.94 | K | Joback Calculated Property |
| Vc | 0.444 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [198.82; 233.27] | J/mol×K | [573.14; 820.89] |
|
| Cp,gas | 198.82 | J/mol×K | 573.14 | Joback Calculated Property |
| Cp,gas | 205.80 | J/mol×K | 614.43 | Joback Calculated Property |
| Cp,gas | 212.24 | J/mol×K | 655.72 | Joback Calculated Property |
| Cp,gas | 218.19 | J/mol×K | 697.01 | Joback Calculated Property |
| Cp,gas | 223.66 | J/mol×K | 738.31 | Joback Calculated Property |
| Cp,gas | 228.67 | J/mol×K | 779.60 | Joback Calculated Property |
| Cp,gas | 233.27 | J/mol×K | 820.89 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3,5-Dichlorobenzonitrile.
Sources
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