- InChI
- InChI=1S/C7H2Cl3N/c8-4-1-6(9)5(3-11)7(10)2-4/h1-2H
- InChI Key
- PGODHCIOIPODFE-UHFFFAOYSA-N
- Formula
- C7H2Cl3N
- SMILES
- N#Cc1c(Cl)cc(Cl)cc1Cl
- Molecular Weight1
- 206.46
- CAS
- 6575-05-9
- 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° | 188.97 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 131.97 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 20.86 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.07 | kJ/mol | Joback Calculated Property |
| log10WS | -3.88 | Crippen Calculated Property | |
| logPoct/wat | 3.518 | Crippen Calculated Property | |
| McVol | 123.830 | ml/mol | McGowan Calculated Property |
| Pc | 3302.95 | kPa | Joback Calculated Property |
| Tboil | 615.55 | K | Joback Calculated Property |
| Tc | 867.76 | K | Joback Calculated Property |
| Tfus | 387.38 | K | Joback Calculated Property |
| Vc | 0.492 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [214.69; 244.19] | J/mol×K | [615.55; 867.76] | 
|
| Cp,gas | 214.69 | J/mol×K | 615.55 | Joback Calculated Property |
| Cp,gas | 220.70 | J/mol×K | 657.59 | Joback Calculated Property |
| Cp,gas | 226.25 | J/mol×K | 699.62 | Joback Calculated Property |
| Cp,gas | 231.35 | J/mol×K | 741.66 | Joback Calculated Property |
| Cp,gas | 236.03 | J/mol×K | 783.69 | Joback Calculated Property |
| Cp,gas | 240.30 | J/mol×K | 825.73 | Joback Calculated Property |
| Cp,gas | 244.19 | J/mol×K | 867.76 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,4,6-Trichlorobenzonitrile.
Sources
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