- 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.
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° | 64.80 | 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 | 718.46 | K | Relay (1.0) Calculated Property |
| Tfus | 259.95 | 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.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [148.13; 314.42] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 2.26250e+01 | |||
| Coefficient B | 5.46800e-01 | |||
| Coefficient C | -3.43000e-04 | |||
| Coefficient D | 8.80000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 148.13 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 177.04 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 202.69 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 225.36 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 245.33 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 262.88 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 278.29 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 291.83 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 303.78 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 314.42 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 6-BROMOHEXANENITRILE.
Sources
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