- InChI
- InChI=1S/C7Cl5N/c8-3-2(1-13)4(9)6(11)7(12)5(3)10
- InChI Key
- INICGXSKJYKEIV-UHFFFAOYSA-N
- Formula
- C7Cl5N
- SMILES
- N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl
- Molecular Weight1
- 275.35
- CAS
- 20925-85-3
- Other Names
-
- Pentachlorobenzonitrile
- 2,3,4,5,6-Pentachlorobenzonitrile
- Pentachlorocyanobenzene
- Pentachlorobenzonitryl
- 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° | 145.85 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 77.55 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.47 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.17 | kJ/mol | Joback Calculated Property |
| log10WS | -5.25 | Crippen Calculated Property | |
| logPoct/wat | 4.825 | Crippen Calculated Property | |
| McVol | 148.310 | ml/mol | McGowan Calculated Property |
| Pc | 2940.89 | kPa | Joback Calculated Property |
| Tboil | 700.37 | K | Joback Calculated Property |
| Tc | 959.39 | K | Joback Calculated Property |
| Tfus | 472.26 | K | Joback Calculated Property |
| Vc | 0.591 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [241.74; 262.45] | J/mol×K | [700.37; 959.39] | 
|
| Cp,gas | 241.74 | J/mol×K | 700.37 | Joback Calculated Property |
| Cp,gas | 246.08 | J/mol×K | 743.54 | Joback Calculated Property |
| Cp,gas | 250.06 | J/mol×K | 786.71 | Joback Calculated Property |
| Cp,gas | 253.68 | J/mol×K | 829.88 | Joback Calculated Property |
| Cp,gas | 256.95 | J/mol×K | 873.05 | Joback Calculated Property |
| Cp,gas | 259.87 | J/mol×K | 916.22 | Joback Calculated Property |
| Cp,gas | 262.45 | J/mol×K | 959.39 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzonitrile, pentachloro-.
Sources
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