- InChI
- InChI=1S/C7H7ClN4/c1-2-4-11-6(8)5-7(12-4)10-3-9-5/h3H,2H2,1H3,(H,9,10,11,12)
- InChI Key
- PMJOANJCPVQPOH-UHFFFAOYSA-N
- Formula
- C7H7ClN4
- SMILES
- CCc1nc(Cl)c2[nH]cnc2n1
- Molecular Weight1
- 182.61
- CAS
- 1908-23-2
- 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 | 0.5005 | Relay (1.0) Calculated Property | |
| ΔfG° | 302.13 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 130.48 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 84.32 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.90 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.74 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.087 | Crippen Calculated Property | |
| McVol | 122.730 | ml/mol | McGowan Calculated Property |
| Pc | 4682.61 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 583.57 | K | Relay (1.0) Calculated Property |
| Tc | 871.40 | K | Relay (1.0) Calculated Property |
| Tfus | 478.03 | K | Relay (1.0) Calculated Property |
| Vc | 0.476 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 6-Chloro-2-ethylpurine.
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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