- InChI
- InChI=1S/C11H14N4O4/c1-3-8(4-2)12-13-10-6-5-9(14(16)17)7-11(10)15(18)19/h5-7,13H,3-4H2,1-2H3
- InChI Key
- JSDIYPWOZUVCKW-UHFFFAOYSA-N
- Formula
- C11H14N4O4
- SMILES
-
CCC(CC)=NNc1ccc([N+](=O)[O-])c
c1[N+](=O)[O-] - Molecular Weight1
- 266.25
- CAS
- 1636-83-5
- 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 | 0.8373 | Relay (... Calculated Property | |
| ΔfG° | 355.59 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | 97.50 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 90.48 | kJ/mol | Relay (... Calculated Property |
| IE | 8.38 | eV | Relay (... Calculated Property |
| log10WS | -3.74 | Relay (... Calculated Property | |
| logPoct/wat | 3.091 | Crippen Calculated Property | |
| McVol | 192.590 | ml/mol | McGowan Calculated Property |
| Pc | 2412.37 | kPa | Joback Calculated Property |
| Inp | [2399.00; 2399.00] |
|
|
| Inp | 2399.00 | NIST | |
| Inp | 2399.00 | NIST | |
| Tboil | 593.27 | K | Relay (... Calculated Property |
| Tc | 910.51 | K | Relay (... Calculated Property |
| Tfus | 406.35 | K | Relay (... Calculated Property |
| Vc | 0.655 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 3-Pentanone, (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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