- InChI
- InChI=1S/C10H12N4O4/c1-2-3-6-11-12-9-5-4-8(13(15)16)7-10(9)14(17)18/h4-7,12H,2-3H2,1H3
- InChI Key
- IKGRHEWIFBFXPP-UHFFFAOYSA-N
- Formula
- C10H12N4O4
- SMILES
-
CCCC=NNc1ccc([N+](=O)[O-])cc1[
N+](=O)[O-] - Molecular Weight1
- 252.23
- CAS
- 1527-98-6
- Other Names
-
- Butyraldehyde, (2,4-dinitrophenyl)hydrazone
- 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 | 0.8352 | Relay (1.0) Calculated Property | |
| ΔfG° | 366.77 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 153.08 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 89.09 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.66 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.82 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.701 | Crippen Calculated Property | |
| McVol | 178.500 | ml/mol | McGowan Calculated Property |
| Pc | 2643.39 | kPa | Joback Calculated Property |
| Inp | 2378.00 | NIST | |
| Tboil | 591.99 | K | Relay (1.0) Calculated Property |
| Tc | 907.34 | K | Relay (1.0) Calculated Property |
| Tfus | 380.51 | K | Relay (1.0) Calculated Property |
| Vc | 0.606 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Butanal, (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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