- InChI
- InChI=1S/C8H6BrN/c9-5-7-2-1-3-8(4-7)6-10/h1-4H,5H2
- InChI Key
- CVKOOKPNCVYHNY-UHFFFAOYSA-N
- Formula
- C8H6BrN
- SMILES
- N#Cc1cccc(CBr)c1
- Molecular Weight1
- 196.04
- CAS
- 28188-41-2
- Other Names
-
- m-Tolunitrile, «alpha»-bromo-
- «alpha»-Bromo-m-tolunitrile
- m-(Bromomethyl)benzonitrile
- m-Cyano-«alpha»-bromotoluene
- m-Cyanobenzyl bromide
- 3-(Bromomethyl)benzonitrile
- 3-Cyanobenzyl bromide
- «alpha»-bromo-m-toluonitrile
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 266.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 207.82 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 16.92 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.25 | kJ/mol | Joback Calculated Property |
| log10WS | -3.14 | Crippen Calculated Property | |
| logPoct/wat | 2.453 | Crippen Calculated Property | |
| McVol | 118.700 | ml/mol | McGowan Calculated Property |
| Pc | 3782.33 | kPa | Joback Calculated Property |
| Tboil | 582.34 | K | Joback Calculated Property |
| Tc | 829.92 | K | Joback Calculated Property |
| Tfus | 343.65 | K | Joback Calculated Property |
| Vc | 0.464 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [230.81; 275.58] | J/mol×K | [582.34; 829.92] | 
|
| Cp,gas | 230.81 | J/mol×K | 582.34 | Joback Calculated Property |
| Cp,gas | 239.86 | J/mol×K | 623.60 | Joback Calculated Property |
| Cp,gas | 248.22 | J/mol×K | 664.87 | Joback Calculated Property |
| Cp,gas | 255.92 | J/mol×K | 706.13 | Joback Calculated Property |
| Cp,gas | 263.01 | J/mol×K | 747.39 | Joback Calculated Property |
| Cp,gas | 269.55 | J/mol×K | 788.66 | Joback Calculated Property |
| Cp,gas | 275.58 | J/mol×K | 829.92 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzonitrile, 3-(bromomethyl)-.
Sources
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