- InChI
- InChI=1S/C11H9N7/c1-2-8(4-12-3-1)5-17-18-11-9-10(14-6-13-9)15-7-16-11/h1-7H,(H2,13,14,15,16,18)/b17-5+
- InChI Key
- OYHLLEIHNUZMHX-YAXRCOADSA-N
- Formula
- C11H9N7
- SMILES
- C(=NNc1ncnc2nc[nH]c12)c1cccnc1
- Molecular Weight1
- 239.24
- CAS
- 6298-16-4
- 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 | 0.6955 | Relay (1.0) Calculated Property | |
| ΔfG° | 594.92 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 554.79 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 123.18 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.44 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.10 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.712 | Crippen Calculated Property | |
| McVol | 168.730 | ml/mol | McGowan Calculated Property |
| Pc | 6729.42 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 682.96 | K | Relay (1.0) Calculated Property |
| Tc | 1103.34 | K | Relay (1.0) Calculated Property |
| Tfus | 514.83 | K | Relay (1.0) Calculated Property |
| Vc | 0.628 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Nicotinaldehyde, 6-purinylhydrazone.
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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