- InChI
- InChI=1S/C5H5ClN6/c6-5-10-3-2(8-1-9-3)4(11-5)12-7/h1H,7H2,(H2,8,9,10,11,12)
- InChI Key
- QCFNQRYMMJROEN-UHFFFAOYSA-N
- Formula
- C5H5ClN6
- SMILES
- NNc1nc(Cl)nc2nc[nH]c12
- Molecular Weight1
- 184.59
- CAS
- 5404-88-6
- 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 | 0.5628 | Relay (1.0) Calculated Property | |
| ΔfG° | 384.88 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 273.70 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 104.99 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.64 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.00 | Relay (1.0) Calculated Property | |
| logPoct/wat | -0.190 | Crippen Calculated Property | |
| McVol | 114.510 | ml/mol | McGowan Calculated Property |
| Pc | 6717.29 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 623.88 | K | Relay (1.0) Calculated Property |
| Tc | 977.04 | K | Relay (1.0) Calculated Property |
| Tfus | 548.88 | K | Relay (1.0) Calculated Property |
| Vc | 0.422 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
![9H-purine, 6-[4-methyl-3-thiosemicarbazido]-.](data:image/png;base64,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)
Find more compounds similar to Purine, 2-chloro-6-hydrazino-.
Sources
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- Crippen Method
- Crippen Method
- McGowan Method
- NIST Webbook
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