- InChI
- InChI=1S/C14H20N4O4/c1-2-3-4-5-6-7-10-15-16-13-9-8-12(17(19)20)11-14(13)18(21)22/h8-11,16H,2-7H2,1H3
- InChI Key
- HIPWOUSEWCCFDN-UHFFFAOYSA-N
- Formula
- C14H20N4O4
- SMILES
-
CCCCCCCC=NNc1ccc([N+](=O)[O-])
cc1[N+](=O)[O-] - Molecular Weight1
- 308.33
- CAS
- 1726-77-8
- Other Names
-
- Octanal-2,4-dinitrophenylhydrazine
- 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).
- Inp : Non-polar retention indices.
- 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 | 0.9984 | Relay (1.0) Calculated Property | |
| ΔfG° | 395.68 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 54.31 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 100.69 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.61 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.24 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.261 | Crippen Calculated Property | |
| McVol | 234.860 | ml/mol | McGowan Calculated Property |
| Pc | 1843.58 | kPa | Joback Calculated Property |
| Inp | [2763.00; 2763.00] |
|
|
| Inp | 2763.00 | NIST | |
| Inp | 2763.00 | NIST | |
| Tboil | 623.47 | K | Relay (1.0) Calculated Property |
| Tc | 944.22 | K | Relay (1.0) Calculated Property |
| Tfus | 369.74 | K | Relay (1.0) Calculated Property |
| Vc | 0.817 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Octanal, (2,4-dinitrophenyl)hydrazone.
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
- Joback Method
- McGowan Method
- NIST Webbook
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