- InChI
- InChI=1S/C12H15BrN2/c13-11-5-4-6-12(9-11)14-10-15-7-2-1-3-8-15/h4-6,9-10H,1-3,7-8H2/b14-10+
- InChI Key
- JQFCLROWAXRVGB-GXDHUFHOSA-N
- Formula
- C12H15BrN2
- SMILES
- Brc1cccc(N=CN2CCCCC2)c1
- Molecular Weight1
- 267.17
- 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 | 0.5118 | Relay (1.0) Calculated Property | |
| ΔfG° | 323.96 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 125.37 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 77.39 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.70 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.69 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.595 | Crippen Calculated Property | |
| McVol | 178.480 | ml/mol | McGowan Calculated Property |
| Pc | 2945.52 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 2102.00 | NIST | |
| Tboil | 633.34 | K | Relay (1.0) Calculated Property |
| Tc | 858.42 | K | Relay (1.0) Calculated Property |
| Tfus | 308.72 | K | Relay (1.0) Calculated Property |
| Vc | 0.615 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Methanimine, 1-(1-piperidinyl), N-(3-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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