- InChI
- InChI=1S/C2H2BrN/c3-1-2-4/h1H2
- InChI Key
- REXUYBKPWIPONM-UHFFFAOYSA-N
- Formula
- C2H2BrN
- SMILES
- N#CCBr
- Molecular Weight1
- 119.95
- CAS
- 590-17-0
- Other Names
-
- Bromoacetonitrile
- Bromomethyl cyanide
- Cyanomethyl bromide
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 113.46 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 106.60 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 7.73 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 36.96 | kJ/mol | Joback Calculated Property |
| IE | 11.28 | eV | NIST |
| log10WS | -0.96 | Crippen Calculated Property | |
| logPoct/wat | 0.905 | Crippen Calculated Property | |
| McVol | 57.920 | ml/mol | McGowan Calculated Property |
| Pc | 5359.18 | kPa | Joback Calculated Property |
| Inp | [725.00; 725.00] |
|
|
| Inp | 725.00 | NIST | |
| Inp | 725.00 | NIST | |
| Inp | 725.00 | NIST | |
| Tboil | 413.40 | K | Joback Calculated Property |
| Tc | 629.95 | K | Joback Calculated Property |
| Tfus | 237.09 | K | Joback Calculated Property |
| Vc | 0.235 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [76.64; 91.67] | J/mol×K | [413.40; 629.95] |
|
| Cp,gas | 76.64 | J/mol×K | 413.40 | Joback Calculated Property |
| Cp,gas | 79.57 | J/mol×K | 449.49 | Joback Calculated Property |
| Cp,gas | 82.31 | J/mol×K | 485.58 | Joback Calculated Property |
| Cp,gas | 84.88 | J/mol×K | 521.67 | Joback Calculated Property |
| Cp,gas | 87.29 | J/mol×K | 557.76 | Joback Calculated Property |
| Cp,gas | 89.55 | J/mol×K | 593.86 | Joback Calculated Property |
| Cp,gas | 91.67 | J/mol×K | 629.95 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 334.20 | K | 3.20 | NIST |
Similar Compounds
Find more compounds similar to Acetonitrile, bromo-.
Sources
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