- InChI
- InChI=1S/C10H10N4O4/c1-2-3-6-11-12-9-5-4-8(13(15)16)7-10(9)14(17)18/h2-7,12H,1H3/b3-2?,11-6+
- InChI Key
- GFUVNGJSSAEZHW-LMWDSAMRSA-N
- Formula
- C10H10N4O4
- SMILES
-
CC=CC=NNc1ccc([N+](=O)[O-])cc1
[N+](=O)[O-] - Molecular Weight1
- 250.21
- CAS
- 1527-96-4
- Other Names
-
- Crotonaldehyde, (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).
- 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 | 0.7753 | Relay (... Calculated Property | |
| ΔfG° | 411.87 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | 253.35 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 91.24 | kJ/mol | Relay (... Calculated Property |
| IE | 8.66 | eV | Relay (... Calculated Property |
| log10WS | -3.53 | Relay (... Calculated Property | |
| logPoct/wat | 2.477 | Crippen Calculated Property | |
| McVol | 174.200 | ml/mol | McGowan Calculated Property |
| Pc | 2790.61 | kPa | Joback Calculated Property |
| Tboil | 602.91 | K | Relay (... Calculated Property |
| Tc | 924.12 | K | Relay (... Calculated Property |
| Tfus | 421.54 | K | Relay (... Calculated Property |
| Vc | 0.565 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 2-Butenal, (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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