- InChI
- InChI=1S/C4H3Cl2N3/c5-3-2(7)1-8-4(6)9-3/h1H,7H2
- InChI Key
- RINHVELYMZLXIW-UHFFFAOYSA-N
- Formula
- C4H3Cl2N3
- SMILES
- Nc1cnc(Cl)nc1Cl
- Molecular Weight1
- 163.99
- CAS
- 5177-27-5
- 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 | 0.4812 | Relay (1.0) Calculated Property | |
| ΔfG° | 241.52 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 90.01 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 66.40 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.52 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.39 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.366 | Crippen Calculated Property | |
| McVol | 97.880 | ml/mol | McGowan Calculated Property |
| Pc | 4791.45 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 538.91 | K | Relay (1.0) Calculated Property |
| Tc | 813.01 | K | Relay (1.0) Calculated Property |
| Tfus | 464.73 | K | Relay (1.0) Calculated Property |
| Vc | 0.355 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Pyrimidine, 5-amino-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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