- InChI
- InChI=1S/C2HBrClN/c3-2(4)1-5/h2H
- InChI Key
- BMWPPNAUMLRKML-UHFFFAOYSA-N
- Formula
- C2HBrClN
- SMILES
- N#CC(Cl)Br
- Molecular Weight1
- 154.39
- CAS
- 83463-62-1
- Other Names
-
- Bromochloroacetonitrile
- Bromochloromethyl cyanide
- ω : Acentric Factor.
- 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).
- 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 | 0.3886 | Relay (1.0) Calculated Property | |
| ΔfG° | 99.09 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 96.60 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 8.40 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.07 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 11.49 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.02 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.470 | Crippen Calculated Property | |
| McVol | 70.160 | ml/mol | McGowan Calculated Property |
| Pc | 5138.68 | kPa | Joback Calculated Property |
| Inp | [758.00; 758.00] |
|
|
| Inp | 758.00 | NIST | |
| Inp | 758.00 | NIST | |
| Tboil | 395.84 | K | Relay (1.0) Calculated Property |
| Tc | 635.84 | K | Relay (1.0) Calculated Property |
| Tfus | 226.19 | K | Relay (1.0) Calculated Property |
| Vc | 0.280 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [92.56; 106.00] | J/mol×K | [450.39; 679.74] |
|
| Cp,gas | 92.56 | J/mol×K | 450.39 | Joback Calculated Property |
| Cp,gas | 95.31 | J/mol×K | 488.61 | Joback Calculated Property |
| Cp,gas | 97.83 | J/mol×K | 526.84 | Joback Calculated Property |
| Cp,gas | 100.15 | J/mol×K | 565.06 | Joback Calculated Property |
| Cp,gas | 102.27 | J/mol×K | 603.29 | Joback Calculated Property |
| Cp,gas | 104.21 | J/mol×K | 641.51 | Joback Calculated Property |
| Cp,gas | 106.00 | J/mol×K | 679.74 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Acetonitrile, bromochloro-.
Sources
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