- InChI
- InChI=1S/C4Cl4N2/c5-1-2(6)9-4(8)10-3(1)7
- InChI Key
- GVBHCMNXRKOJRH-UHFFFAOYSA-N
- Formula
- C4Cl4N2
- SMILES
- Clc1nc(Cl)c(Cl)c(Cl)n1
- Molecular Weight1
- 217.87
- CAS
- 1780-40-1
- Other Names
-
- 2,4,5,6-Tetrachloro-1,3-pyrimidine
- 2,4,5,6-Tetrachloropyrimidine
- Perchloropyrimidine
- Pyrimidine, 2,4,5,6-tetrachloro-
- Tetrachloropyrimidine
- 2,4,5,6-Tetrachloropyrmidine
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔsubH° : Enthalpy of sublimation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.4314 | Relay (1.0) Calculated Property | |
| ΔfG° | 148.73 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 42.16 | kJ/mol | Relay (1.0) Calculated Property |
| ΔsubH° | 83.00 ± 1.00 | kJ/mol | NIST |
| ΔvapH° | 62.36 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.03 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.67 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.090 | Crippen Calculated Property | |
| McVol | 112.380 | ml/mol | McGowan Calculated Property |
| Pc | 4265.63 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 507.06 | K | Relay (1.0) Calculated Property |
| Tc | 784.24 | K | Relay (1.0) Calculated Property |
| Tfus | 390.38 | K | Relay (1.0) Calculated Property |
| Vc | 0.416 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Pyrimidine, tetrachloro-.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- McGowan Method
- NIST Webbook
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