- InChI
- InChI=1S/C5H4BrN/c6-5-3-1-2-4-7-5/h1-4H
- InChI Key
- IMRWILPUOVGIMU-UHFFFAOYSA-N
- Formula
- C5H4BrN
- SMILES
- Brc1ccccn1
- Molecular Weight1
- 158.00
- CAS
- 109-04-6
- Other Names
-
- «alpha»-Bromopyridine
- o-Bromopyridine
- 2-Bromopyridine
- ω : Acentric Factor.
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- 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).
- Tboilr : Boiling point at reduced pressure (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 | 0.2812 | Relay (... Calculated Property | |
| PAff | 904.80 | kJ/mol | NIST |
| BasG | 873.00 | kJ/mol | NIST |
| ΔfG° | 171.64 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | 154.26 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 54.40 ± 1.30 | kJ/mol | NIST |
| IE | [9.65; 9.70] | eV |
|
| IE | 9.70 | eV | NIST |
| IE | 9.70 ± 0.10 | eV | NIST |
| IE | 9.65 ± 0.05 | eV | NIST |
| log10WS | -0.75 | Relay (... Calculated Property | |
| logPoct/wat | 1.844 | Crippen Calculated Property | |
| McVol | 85.030 | ml/mol | McGowan Calculated Property |
| Pc | 5273.55 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [988.00; 988.00] |
|
|
| Inp | 988.00 | NIST | |
| Inp | 988.00 | NIST | |
| Tboil | 466.20 | K | NIST |
| Tc | 700.54 | K | Relay (... Calculated Property |
| Tfus | 270.10 | K | Relay (... Calculated Property |
| Vc | 0.306 | m3/kmol | Relay (... Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 347.70 | K | 1.70 | NIST |
Similar Compounds
Find more compounds similar to Pyridine, 2-bromo-.
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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