![N-[4-(6-methyl)-1,3,3a,7-tetrazaindenyl]-ethylenediamine hydrochloride](/cid/66-351-9/N-4-6-methyl-1-3-3a-7-tetrazaindenyl-ethylenediamine-hydrochloride.png "N-[4-(6-methyl)-1,3,3a,7-tetrazaindenyl]-ethylenediamine hydrochloride")
- InChI
- InChI=1S/C8H12N6/c1-6-4-7(10-3-2-9)14-8(13-6)11-5-12-14/h4-5,10H,2-3,9H2,1H3
- InChI Key
- DROUECPSPOUPDI-UHFFFAOYSA-N
- Formula
- C8H12N6
- SMILES
- Cc1cc(NCCN)n2ncnc2n1
- Molecular Weight1
- 192.22
- 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 | 0.6863 | Relay (1.0) Calculated Property | |
| ΔfG° | 426.37 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 273.43 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 96.16 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.53 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.90 | Relay (1.0) Calculated Property | |
| logPoct/wat | -0.197 | Crippen Calculated Property | |
| McVol | 144.540 | ml/mol | McGowan Calculated Property |
| Pc | 4948.59 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 634.52 | K | Relay (1.0) Calculated Property |
| Tc | 937.48 | K | Relay (1.0) Calculated Property |
| Tfus | 425.18 | K | Relay (1.0) Calculated Property |
| Vc | 0.535 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
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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