- InChI
- InChI=1S/C4H3ClN2/c5-4-6-2-1-3-7-4/h1-3H
- InChI Key
- UNCQVRBWJWWJBF-UHFFFAOYSA-N
- Formula
- C4H3ClN2
- SMILES
- Clc1ncccn1
- Molecular Weight1
- 114.53
- CAS
- 1722-12-9
- Other Names
-
- 2-Chloropyrimidine
- 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 | 0.2838 | Relay (... Calculated Property | |
| ΔfG° | 225.28 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | 111.64 | kJ/mol | Relay (... Calculated Property |
| ΔsubH° | 70.10 ± 1.30 | kJ/mol | NIST |
| ΔvapH° | 46.26 | kJ/mol | Relay (... Calculated Property |
| IE | 9.88 | eV | Relay (... Calculated Property |
| log10WS | -0.11 | Relay (... Calculated Property | |
| logPoct/wat | 1.130 | Crippen Calculated Property | |
| McVol | 75.660 | ml/mol | McGowan Calculated Property |
| Pc | 5661.82 | kPa | Relay (... Calculated Property ⚠️ |
| Tboil | 453.80 | K | Relay (... Calculated Property |
| Tc | 674.42 | K | Relay (... Calculated Property |
| Tfus | 312.31 | K | Relay (... Calculated Property |
| Vc | 0.265 | m3/kmol | Relay (... Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 348.70 | K | 1.30 | NIST |
Similar Compounds
Find more compounds similar to Pyrimidine, 2-chloro-.
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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