- InChI
- InChI=1S/C4HCl2N3O2/c5-3-2(9(10)11)1-7-4(6)8-3/h1H
- InChI Key
- INUSQTPGSHFGHM-UHFFFAOYSA-N
- Formula
- C4HCl2N3O2
- SMILES
- O=[N+]([O-])c1cnc(Cl)nc1Cl
- Molecular Weight1
- 193.98
- CAS
- 49845-33-2
- 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 | 0.5180 | Relay (1.0) Calculated Property | |
| ΔfG° | 235.54 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 82.83 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 64.72 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.65 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.85 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.692 | Crippen Calculated Property | |
| McVol | 105.320 | ml/mol | McGowan Calculated Property |
| Pc | 4771.77 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 522.06 | K | Relay (1.0) Calculated Property |
| Tc | 826.85 | K | Relay (1.0) Calculated Property |
| Tfus | 385.15 | K | Relay (1.0) Calculated Property |
| Vc | 0.377 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Pyrimidine, 2,4-dichloro-5-nitro-.
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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