- InChI
- InChI=1S/C15H9Cl2N/c16-14-6-4-12(5-7-14)13(10-18)8-11-2-1-3-15(17)9-11/h1-9H/b13-8+
- InChI Key
- QKPFBKLGLGRHFG-MDWZMJQESA-N
- Formula
- C15H9Cl2N
- SMILES
-
N#CC(=Cc1cccc(Cl)c1)c1ccc(Cl)c
c1 - Molecular Weight1
- 274.14
- CAS
- 93986-80-2
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 461.97 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 338.02 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 30.70 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.15 | kJ/mol | Joback Calculated Property |
| log10WS | -5.73 | Crippen Calculated Property | |
| logPoct/wat | 5.058 | Crippen Calculated Property | |
| McVol | 196.250 | ml/mol | McGowan Calculated Property |
| Pc | 2338.29 | kPa | Joback Calculated Property |
| Tboil | 786.90 | K | Joback Calculated Property |
| Tc | 1053.63 | K | Joback Calculated Property |
| Tfus | 442.48 | K | Joback Calculated Property |
| Vc | 0.764 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [466.75; 521.32] | J/mol×K | [786.90; 1053.63] | 
|
| Cp,gas | 466.75 | J/mol×K | 786.90 | Joback Calculated Property |
| Cp,gas | 477.86 | J/mol×K | 831.36 | Joback Calculated Property |
| Cp,gas | 488.00 | J/mol×K | 875.81 | Joback Calculated Property |
| Cp,gas | 497.29 | J/mol×K | 920.27 | Joback Calculated Property |
| Cp,gas | 505.86 | J/mol×K | 964.72 | Joback Calculated Property |
| Cp,gas | 513.83 | J/mol×K | 1009.18 | Joback Calculated Property |
| Cp,gas | 521.32 | J/mol×K | 1053.63 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to m-Chlorobenzylidene-p-chlorophenylacetonitrile.
Sources
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