- InChI
- InChI=1S/C8H4Cl3N/c9-6-1-2-7(10)8(11)5(6)3-4-12/h1-2H,3H2
- InChI Key
- ZUZLGSONCFESPE-UHFFFAOYSA-N
- Formula
- C8H4Cl3N
- SMILES
- N#CCc1c(Cl)ccc(Cl)c1Cl
- Molecular Weight1
- 220.48
- CAS
- 3215-65-4
- Other Names
-
- Acetonitrile, (2,3,6-trichlorophenyl)-
- 2,3,6-Trichlorobenzyl cyanide
- 2,3,6-Trichlorophenylacetonitrile
- 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° | 197.39 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 111.33 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 23.45 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.30 | kJ/mol | Joback Calculated Property |
| log10WS | -4.20 | Crippen Calculated Property | |
| logPoct/wat | 3.713 | Crippen Calculated Property | |
| McVol | 137.920 | ml/mol | McGowan Calculated Property |
| Pc | 2966.57 | kPa | Joback Calculated Property |
| Tboil | 638.43 | K | Joback Calculated Property |
| Tc | 885.00 | K | Joback Calculated Property |
| Tfus | 398.65 | K | Joback Calculated Property |
| Vc | 0.548 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [258.69; 294.48] | J/mol×K | [638.43; 885.00] | 
|
| Cp,gas | 258.69 | J/mol×K | 638.43 | Joback Calculated Property |
| Cp,gas | 265.91 | J/mol×K | 679.53 | Joback Calculated Property |
| Cp,gas | 272.61 | J/mol×K | 720.62 | Joback Calculated Property |
| Cp,gas | 278.79 | J/mol×K | 761.72 | Joback Calculated Property |
| Cp,gas | 284.48 | J/mol×K | 802.81 | Joback Calculated Property |
| Cp,gas | 289.70 | J/mol×K | 843.91 | Joback Calculated Property |
| Cp,gas | 294.48 | J/mol×K | 885.00 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzeneacetonitrile, 2,3,6-trichloro-.
Sources
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