- InChI
- InChI=1S/C3H4BrN/c4-2-1-3-5/h1-2H2
- InChI Key
- CQZIEDXCLQOOEH-UHFFFAOYSA-N
- Formula
- C3H4BrN
- SMILES
- N#CCCBr
- Molecular Weight1
- 133.97
- CAS
- 2417-90-5
- Other Names
-
- Propionitrile, 3-bromo-
- «beta»-Bromopropionitrile
- 1-Bromo-2-cyanoethane
- 2-Bromoethyl cyanide
- 3-Bromopropionitrile
- USAF DO-51
- 2-Cyanoethyl bromide
- Propionitrile, «beta»-bromo-
- NSC 8021
- 3-bromopropiononitrile
- 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).
- 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 | 0.4973 | Relay (1.0) Calculated Property | |
| ΔfG° | 121.88 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 84.30 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 10.32 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.66 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 11.58 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.48 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.295 | Crippen Calculated Property | |
| McVol | 72.010 | ml/mol | McGowan Calculated Property |
| Pc | 4678.49 | kPa | Joback Calculated Property |
| Tboil | 472.74 | K | Relay (1.0) Calculated Property |
| Tc | 664.13 | K | Relay (1.0) Calculated Property |
| Tfus | 265.17 | K | Relay (1.0) Calculated Property |
| Vc | 0.273 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [109.69; 133.93] | J/mol×K | [436.28; 650.16] | 
|
| Cp,gas | 109.69 | J/mol×K | 436.28 | Joback Calculated Property |
| Cp,gas | 114.36 | J/mol×K | 471.93 | Joback Calculated Property |
| Cp,gas | 118.75 | J/mol×K | 507.57 | Joback Calculated Property |
| Cp,gas | 122.89 | J/mol×K | 543.22 | Joback Calculated Property |
| Cp,gas | 126.80 | J/mol×K | 578.87 | Joback Calculated Property |
| Cp,gas | 130.47 | J/mol×K | 614.51 | Joback Calculated Property |
| Cp,gas | 133.93 | J/mol×K | 650.16 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 350.20 | K | 1.30 | NIST |
Similar Compounds
Find more compounds similar to Propanenitrile, 3-bromo-.
Sources
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