- InChI
- InChI=1S/C8Cl4N2/c9-5-3(1-13)4(2-14)6(10)8(12)7(5)11
- InChI Key
- OQHXZZGZASQSOB-UHFFFAOYSA-N
- Formula
- C8Cl4N2
- SMILES
- N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)c1C#N
- Molecular Weight1
- 265.91
- CAS
- 1953-99-7
- Other Names
-
- Phthalonitrile, tetrachloro-
- Tetrachlorophthalodinitrile
- Tetrachlorophthalonitrile
- 3,4,5,6-Tetrachlorophthalonitrile
- o-Phthalodinitrile, tetrachloro-
- o-Tcpn
- o-Tetrachlorophthalodinitrile
- 3,4,5,6-tetrachlorobenzene-1,2-dicarbonitrile
- 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° | 299.38 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 237.53 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.37 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.48 | kJ/mol | Joback Calculated Property |
| log10WS | -4.92 | Crippen Calculated Property | |
| logPoct/wat | 4.044 | Crippen Calculated Property | |
| McVol | 151.540 | ml/mol | McGowan Calculated Property |
| Pc | 2690.21 | kPa | Joback Calculated Property |
| Tboil | 787.90 | K | Joback Calculated Property |
| Tc | 1048.40 | K | Joback Calculated Property |
| Tfus | 518.60 | K | Joback Calculated Property |
| Vc | 0.624 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [267.96; 286.81] | J/mol×K | [787.90; 1048.40] | 
|
| Cp,gas | 267.96 | J/mol×K | 787.90 | Joback Calculated Property |
| Cp,gas | 272.09 | J/mol×K | 831.32 | Joback Calculated Property |
| Cp,gas | 275.82 | J/mol×K | 874.73 | Joback Calculated Property |
| Cp,gas | 279.15 | J/mol×K | 918.15 | Joback Calculated Property |
| Cp,gas | 282.09 | J/mol×K | 961.57 | Joback Calculated Property |
| Cp,gas | 284.64 | J/mol×K | 1004.98 | Joback Calculated Property |
| Cp,gas | 286.81 | J/mol×K | 1048.40 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-Benzenedicarbonitrile, 3,4,5,6-tetrachloro-.
Sources
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