- InChI
- InChI=1S/C5H4BrN/c6-5-2-1-3-7-4-5/h1-4H
- InChI Key
- NYPYPOZNGOXYSU-UHFFFAOYSA-N
- Formula
- C5H4BrN
- SMILES
- Brc1cccnc1
- Molecular Weight1
- 158.00
- CAS
- 626-55-1
- Other Names
-
- 3-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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- Pvap : Vapor pressure (kPa).
- 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 | 0.2807 | Relay (1.0) Calculated Property | |
| PAff | 910.00 | kJ/mol | NIST |
| BasG | 878.20 | kJ/mol | NIST |
| ΔfG° | 170.72 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 183.97 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 52.10 ± 1.30 | kJ/mol | NIST |
| IE | 9.80 ± 0.10 | eV | NIST |
| log10WS | -0.53 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.844 | Crippen Calculated Property | |
| McVol | 85.030 | ml/mol | McGowan Calculated Property |
| Pc | 5232.41 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 446.20 | K | NIST |
| Tc | 722.46 | K | Relay (1.0) Calculated Property |
| Tfus | 272.02 | K | Relay (1.0) Calculated Property |
| Vc | 0.297 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 47.40 | kJ/mol | 368.00 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 342.20 | K | 2.40 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [0.17; 202.65] | kPa | [289.00; 474.63] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.57937e+01 | |||
| Coefficient B | -4.81335e+03 | |||
| Coefficient C | -1.54400e+01 | |||
| Temperature range, min. | 289.00 | |||
| Temperature range, max. | 474.63 | |||
| Pvap | 0.17 | kPa | 289.00 | Calculated Property |
| Pvap | 0.57 | kPa | 309.63 | Calculated Property |
| Pvap | 1.66 | kPa | 330.25 | Calculated Property |
| Pvap | 4.24 | kPa | 350.88 | Calculated Property |
| Pvap | 9.73 | kPa | 371.50 | Calculated Property |
| Pvap | 20.40 | kPa | 392.13 | Calculated Property |
| Pvap | 39.61 | kPa | 412.75 | Calculated Property |
| Pvap | 72.01 | kPa | 433.38 | Calculated Property |
| Pvap | 123.78 | kPa | 454.00 | Calculated Property |
| Pvap | 202.65 | kPa | 474.63 | Calculated Property |
| Pvap | [0.13; 101.11] | kPa | [289.90; 446.60] |
NIST
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.48353e+01 | |||
| Coefficient B | -4.06927e+03 | |||
| Coefficient C | -4.84000e+01 | |||
| Reference | Stull, 1947 | |||
| Comment | Coefficents calculated by NIST from author's data. | |||
| Temperature range, min. | 289.90 | |||
| Temperature range, max. | 446.60 | |||
| Pvap | 0.13 | kPa | 289.90 | Calculated Property |
| Pvap | 0.41 | kPa | 307.31 | Calculated Property |
| Pvap | 1.11 | kPa | 324.72 | Calculated Property |
| Pvap | 2.67 | kPa | 342.13 | Calculated Property |
| Pvap | 5.79 | kPa | 359.54 | Calculated Property |
| Pvap | 11.59 | kPa | 376.96 | Calculated Property |
| Pvap | 21.61 | kPa | 394.37 | Calculated Property |
| Pvap | 37.97 | kPa | 411.78 | Calculated Property |
| Pvap | 63.37 | kPa | 429.19 | Calculated Property |
| Pvap | 101.11 | kPa | 446.60 | Calculated Property |
Similar Compounds
Find more compounds similar to Pyridine, 3-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
- The Yaws Handbook of Vapor Pressure
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