- InChI
- InChI=1S/C10H12N2O4/c1-7(11-16-3)8-4-5-10(15-2)9(6-8)12(13)14/h4-6H,1-3H3
- InChI Key
- KDBIODILSHUMOL-UHFFFAOYSA-N
- Formula
- C10H12N2O4
- SMILES
-
CON=C(C)c1ccc(OC)c([N+](=O)[O-
])c1 - Molecular Weight1
- 224.21
- Other Names
-
- E-1-(4-Methoxy-3-nitrophenyl)-N-methoxy-ethanimine
- 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 | 0.7285 | Relay (... Calculated Property | |
| ΔfG° | 148.38 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -100.88 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 78.50 | kJ/mol | Relay (... Calculated Property |
| IE | 8.45 | eV | Relay (... Calculated Property |
| log10WS | -2.92 | Relay (... Calculated Property | |
| logPoct/wat | 1.974 | Crippen Calculated Property | |
| McVol | 162.840 | ml/mol | McGowan Calculated Property |
| Pc | 2502.50 | kPa | Joback Calculated Property |
| Inp | [1878.00; 1878.00] |
|
|
| Inp | 1878.00 | NIST | |
| Inp | 1878.00 | NIST | |
| Tboil | 580.90 | K | Relay (... Calculated Property |
| Tc | 817.56 | K | Relay (... Calculated Property |
| Tfus | 368.40 | K | Relay (... Calculated Property |
| Vc | 0.580 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to (E)-1-(4-Methoxy-3-nitro-phenyl)ethanone methoxime.
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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