- InChI
- InChI=1S/C6H10BrN/c7-5-3-1-2-4-6-8/h1-5H2
- InChI Key
- PHOSWLARCIBBJZ-UHFFFAOYSA-N
- Formula
- C6H10BrN
- SMILES
- N#CCCCCCBr
- Molecular Weight1
- 176.06
- Other Names
-
- 5-Bromopentyl cyanide
- 6-Bromocapronitrile
- 6-Bromohexanonitrile
- Hexanenitrile, 6-bromo-
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.5723 | Relay (1.0) Calculated Property | |
| ΔfH°gas | 9.02 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.09 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.35 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.86 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.465 | Crippen Calculated Property | |
| McVol | 114.280 | ml/mol | McGowan Calculated Property |
| Pc | 3265.31 | kPa | Joback Calculated Property |
| Tboil | 511.40 | K | Relay (1.0) Calculated Property |
| Tc | 707.42 | K | Relay (1.0) Calculated Property |
| Tfus | 264.92 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [222.60; 269.45] | J/mol×K | [504.92; 710.04] | 
|
| Cp,gas | 222.60 | J/mol×K | 504.92 | Joback Calculated Property |
| Cp,gas | 231.51 | J/mol×K | 539.11 | Joback Calculated Property |
| Cp,gas | 239.95 | J/mol×K | 573.29 | Joback Calculated Property |
| Cp,gas | 247.94 | J/mol×K | 607.48 | Joback Calculated Property |
| Cp,gas | 255.51 | J/mol×K | 641.67 | Joback Calculated Property |
| Cp,gas | 262.67 | J/mol×K | 675.85 | Joback Calculated Property |
| Cp,gas | 269.45 | J/mol×K | 710.04 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 6-BROMOHEXANENITRILE.
Sources
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