- InChI
- InChI=1S/C11H14N4O4/c1-11(2,3)7-12-13-9-5-4-8(14(16)17)6-10(9)15(18)19/h4-7,13H,1-3H3
- InChI Key
- ORILNCDDCQWASM-UHFFFAOYSA-N
- Formula
- C11H14N4O4
- SMILES
-
CC(C)(C)C=NNc1ccc([N+](=O)[O-]
)cc1[N+](=O)[O-] - Molecular Weight1
- 266.25
- CAS
- 13608-36-1
- 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 | 0.8068 | Relay (1.0) Calculated Property | |
| ΔfG° | 376.76 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 124.34 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 87.65 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.74 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.47 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.947 | Crippen Calculated Property | |
| McVol | 192.590 | ml/mol | McGowan Calculated Property |
| Pc | 2445.89 | kPa | Joback Calculated Property |
| Inp | [2327.00; 2327.00] |
|
|
| Inp | 2327.00 | NIST | |
| Inp | 2327.00 | NIST | |
| Tboil | 589.38 | K | Relay (1.0) Calculated Property |
| Tc | 903.58 | K | Relay (1.0) Calculated Property |
| Tfus | 446.21 | K | Relay (1.0) Calculated Property |
| Vc | 0.660 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Propanal, 2,2-dimethyl-, (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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