- InChI
- InChI=1S/C11H18N4O/c1-3-4-5-6-7-12-15-11-13-9(2)8-10(16)14-11/h7-8H,3-6H2,1-2H3,(H2,13,14,15,16)/b12-7+
- InChI Key
- XQJXFRREHXVMNQ-KPKJPENVSA-N
- Formula
- C11H18N4O
- SMILES
- CCCCCC=NNc1nc(C)cc(=O)[nH]1
- Molecular Weight1
- 222.29
- 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 | 0.7597 | Relay (1.0) Calculated Property | |
| ΔfG° | 246.30 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -40.88 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 116.00 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.86 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.44 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.574 | Crippen Calculated Property | |
| McVol | 183.580 | ml/mol | McGowan Calculated Property |
| Pc | 3289.33 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 611.80 | K | Relay (1.0) Calculated Property |
| Tc | 859.53 | K | Relay (1.0) Calculated Property |
| Tfus | 446.96 | K | Relay (1.0) Calculated Property |
| Vc | 0.659 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Hexanal, 4-oxo-6-methylpyrimidin-2-ylhydrazone (keto form).
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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