- InChI
- InChI=1S/C4HCl3N2/c5-2-1-3(6)9-4(7)8-2/h1H
- InChI Key
- DPVIABCMTHHTGB-UHFFFAOYSA-N
- Formula
- C4HCl3N2
- SMILES
- Clc1cc(Cl)nc(Cl)n1
- Molecular Weight1
- 183.42
- CAS
- 3764-01-0
- Other Names
-
- 2,4,6-Trichloropyrimidine
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation 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 | 0.3912 | Relay (... Calculated Property | |
| ΔfG° | 167.54 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | 41.15 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 55.60 ± 0.60 | kJ/mol | NIST |
| IE | 9.99 | eV | Relay (... Calculated Property |
| log10WS | -3.02 | Relay (... Calculated Property | |
| logPoct/wat | 2.437 | Crippen Calculated Property | |
| McVol | 100.140 | ml/mol | McGowan Calculated Property |
| Pc | 4856.07 | kPa | Relay (... Calculated Property ⚠️ |
| Tboil | 485.70 | K | NIST |
| Tc | 729.70 | K | Relay (... Calculated Property |
| Tfus | 387.10 | K | Relay (... Calculated Property |
| Vc | 0.369 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Pyrimidine, 2,4,6-trichloro-.
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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