- InChI
- InChI=1S/C11H14N6/c12-16-10-9-11(14-6-13-10)17(7-15-9)8-4-2-1-3-5-8/h2,4,6-8H,1,3,5,12H2,(H,13,14,16)
- InChI Key
- PTKGJBVNKJGCPC-UHFFFAOYSA-N
- Formula
- C11H14N6
- SMILES
- NNc1ncnc2c1ncn2C1C=CCCC1
- Molecular Weight1
- 230.27
- CAS
- 100058-19-3
- 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 | 0.5914 | Relay (1.0) Calculated Property | |
| ΔfG° | 534.05 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 388.37 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 111.16 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.02 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.33 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.393 | Crippen Calculated Property | |
| McVol | 171.650 | ml/mol | McGowan Calculated Property |
| Pc | 4231.49 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 674.74 | K | Relay (1.0) Calculated Property |
| Tc | 1005.45 | K | Relay (1.0) Calculated Property |
| Tfus | 419.02 | K | Relay (1.0) Calculated Property |
| Vc | 0.617 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 9H-purine, 9-cyclohex-2-enyl-6-hydrazino-.
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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