- InChI
- InChI=1S/C5H8BrN/c6-4-2-1-3-5-7/h1-4H2
- InChI Key
- NWWWGAKVHCSAEU-UHFFFAOYSA-N
- Formula
- C5H8BrN
- SMILES
- N#CCCCCBr
- Molecular Weight1
- 162.03
- CAS
- 5414-21-1
- Other Names
-
- 5-bromopentanenitrile
- Pentanenitrile, 5-bromo-
- Valeronitrile, delta-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 | 0.5401 | Relay (1.0) Calculated Property | |
| ΔfH°gas | 33.20 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.50 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.85 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 11.01 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.075 | Crippen Calculated Property | |
| McVol | 100.190 | ml/mol | McGowan Calculated Property |
| Pc | 3655.35 | kPa | Joback Calculated Property |
| Tboil | 498.02 | K | Relay (1.0) Calculated Property |
| Tc | 704.90 | K | Relay (1.0) Calculated Property |
| Tfus | 248.25 | 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 | [182.83; 222.94] | J/mol×K | [482.24; 690.42] | 
|
| Cp,gas | 182.83 | J/mol×K | 482.24 | Joback Calculated Property |
| Cp,gas | 190.48 | J/mol×K | 516.94 | Joback Calculated Property |
| Cp,gas | 197.72 | J/mol×K | 551.63 | Joback Calculated Property |
| Cp,gas | 204.56 | J/mol×K | 586.33 | Joback Calculated Property |
| Cp,gas | 211.04 | J/mol×K | 621.03 | Joback Calculated Property |
| Cp,gas | 217.16 | J/mol×K | 655.73 | Joback Calculated Property |
| Cp,gas | 222.94 | J/mol×K | 690.42 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5-Bromovaleronitrile.
Sources
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