- InChI
- InChI=1S/C4H2Cl2N2/c5-3-1-2-7-4(6)8-3/h1-2H
- InChI Key
- BTTNYQZNBZNDOR-UHFFFAOYSA-N
- Formula
- C4H2Cl2N2
- SMILES
- Clc1ccnc(Cl)n1
- Molecular Weight1
- 148.98
- CAS
- 3934-20-1
- Other Names
-
- 2,4-Dichloropyrimidine
- 2,6-Dichloropyrimidine
- 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).
- Tboilr : Boiling point at reduced pressure (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 | 0.3387 | Relay (1.0) Calculated Property | |
| ΔfG° | 203.16 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 61.21 | kJ/mol | Relay (1.0) Calculated Property |
| ΔsubH° | 76.50 ± 2.00 | kJ/mol | NIST |
| ΔvapH° | 53.40 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.03 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.51 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.783 | Crippen Calculated Property | |
| McVol | 87.900 | ml/mol | McGowan Calculated Property |
| Pc | 5174.96 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 467.47 | K | Relay (1.0) Calculated Property |
| Tc | 716.34 | K | Relay (1.0) Calculated Property |
| Tfus | 360.80 | K | Relay (1.0) Calculated Property |
| Vc | 0.323 | m3/kmol | Relay (1.0) Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 374.20 | K | 3.10 | NIST |
Similar Compounds
Find more compounds similar to Pyrimidine, 2,4-dichloro-.
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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