- InChI
- InChI=1S/C10H14N4O3/c1-7-2-4-13(5-3-7)10(15)8-9(14(16)17)12-6-11-8/h6-7H,2-5H2,1H3,(H,11,12)
- InChI Key
- CORMEMYMWIPHDW-UHFFFAOYSA-N
- Formula
- C10H14N4O3
- SMILES
-
CC1CCN(C(=O)c2nc[nH]c2[N+](=O)
[O-])CC1 - Molecular Weight1
- 238.24
- 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 | 0.6803 | Relay (... Calculated Property | |
| ΔfG° | 269.32 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -78.59 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 89.60 | kJ/mol | Relay (... Calculated Property |
| IE | 9.13 | eV | Relay (... Calculated Property |
| log10WS | -3.42 | Relay (... Calculated Property | |
| logPoct/wat | 0.708 | Crippen Calculated Property | |
| McVol | 170.370 | ml/mol | McGowan Calculated Property |
| Pc | 2612.04 | kPa | Relay (... Calculated Property ⚠️ |
| Tboil | 611.34 | K | Relay (... Calculated Property |
| Tc | 912.94 | K | Relay (... Calculated Property |
| Tfus | 430.17 | K | Relay (... Calculated Property |
| Vc | 0.611 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Imidazole, 4-(4-methylpiperidinocarbonyl)-5-nitro-.
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
- McGowan Method
- NIST Webbook
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