- InChI
- InChI=1S/C11H13BrN2O/c12-10-1-3-11(4-2-10)13-9-14-5-7-15-8-6-14/h1-4,9H,5-8H2/b13-9+
- InChI Key
- GGRQHJRSTBJKMN-UKTHLTGXSA-N
- Formula
- C11H13BrN2O
- SMILES
- Brc1ccc(N=CN2CCOCC2)cc1
- Molecular Weight1
- 269.14
- 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 | 0.5336 | Relay (1.0) Calculated Property | |
| ΔfG° | 245.86 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 57.29 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 83.37 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.69 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.48 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.441 | Crippen Calculated Property | |
| McVol | 170.260 | ml/mol | McGowan Calculated Property |
| Pc | 3229.24 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 2122.00 | NIST | |
| Tboil | 640.96 | K | Relay (1.0) Calculated Property |
| Tc | 853.72 | K | Relay (1.0) Calculated Property |
| Tfus | 348.55 | K | Relay (1.0) Calculated Property |
| Vc | 0.585 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Methanimine, 1-(4-morpholino), N-(4-bromophenyl).
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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