- InChI
- InChI=1S/C4H6BrN/c5-3-1-2-4-6/h1-3H2
- InChI Key
- CQPGDDAKTTWVDD-UHFFFAOYSA-N
- Formula
- C4H6BrN
- SMILES
- N#CCCCBr
- Molecular Weight1
- 148.00
- CAS
- 5332-06-9
- Other Names
-
- Butyronitrile, 4-bromo-
- «gamma»-Bromobutyronitrile
- 3-Bromopropyl cyanide
- 3-Cyanopropyl bromide
- 4-Bromobutyronitrile
- USAF DO-6
- 4-Bromobutanenitrile
- gamma-Bromobutyronitrile
- 1-Bromo-3-cyanopropane
- NSC 3972
- 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).
- 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° | 130.30 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 65.32 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 12.91 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 41.41 | kJ/mol | Joback Calculated Property |
| log10WS | -1.80 | Crippen Calculated Property | |
| logPoct/wat | 1.685 | Crippen Calculated Property | |
| McVol | 86.100 | ml/mol | McGowan Calculated Property |
| Pc | 4119.70 | kPa | Joback Calculated Property |
| Tboil | 479.20 | K | NIST |
| Tc | 670.20 | K | Joback Calculated Property |
| Tfus | 259.63 | K | Joback Calculated Property |
| Vc | 0.347 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [145.11; 177.70] | J/mol×K | [459.16; 670.20] | 
|
| Cp,gas | 145.11 | J/mol×K | 459.16 | Joback Calculated Property |
| Cp,gas | 151.35 | J/mol×K | 494.33 | Joback Calculated Property |
| Cp,gas | 157.24 | J/mol×K | 529.51 | Joback Calculated Property |
| Cp,gas | 162.80 | J/mol×K | 564.68 | Joback Calculated Property |
| Cp,gas | 168.06 | J/mol×K | 599.85 | Joback Calculated Property |
| Cp,gas | 173.02 | J/mol×K | 635.03 | Joback Calculated Property |
| Cp,gas | 177.70 | J/mol×K | 670.20 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 364.20 | K | 1.60 | NIST |
Similar Compounds
Find more compounds similar to Butanenitrile, 4-bromo-.
Sources
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