- InChI
- InChI=1S/C11H13BrN2/c12-10-4-3-5-11(8-10)13-9-14-6-1-2-7-14/h3-5,8-9H,1-2,6-7H2
- InChI Key
- FNXZUCOKXRQFAF-UHFFFAOYSA-N
- Formula
- C11H13BrN2
- SMILES
- Brc1cccc(N=CN2CCCC2)c1
- Molecular Weight1
- 253.14
- 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 | 0.5112 | Relay (1.0) Calculated Property | |
| ΔfG° | 313.40 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 151.22 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 75.76 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.69 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.29 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.205 | Crippen Calculated Property | |
| McVol | 164.390 | ml/mol | McGowan Calculated Property |
| Pc | 3208.87 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2048.00; 2048.00] |
|
|
| Inp | 2048.00 | NIST | |
| Inp | 2048.00 | NIST | |
| Tboil | 620.31 | K | Relay (1.0) Calculated Property |
| Tc | 846.21 | K | Relay (1.0) Calculated Property |
| Tfus | 296.93 | K | Relay (1.0) Calculated Property |
| Vc | 0.575 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Methanimine, 1-(1-pyrrolidinyl), 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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