- InChI
- InChI=1S/C6H12N2/c7-5-3-1-2-4-6-8/h1-5,7H2
- InChI Key
- KBMSFJFLSXLIDJ-UHFFFAOYSA-N
- Formula
- C6H12N2
- SMILES
- N#CCCCCCN
- Molecular Weight1
- 112.17
- CAS
- 2432-74-8
- Other Names
-
- «omega»-Aminocapronitrile
- 6-Aminocapronitrile
- 6-Aminohexanenitrile
- 6-aminohexanonitrile
- 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).
- Tboilr : Boiling point at reduced pressure (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 | 0.5735 | Relay (1.0) Calculated Property | |
| ΔfH°gas | 20.91 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.00 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.69 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.60 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 1.029 | Crippen Calculated Property | |
| McVol | 106.760 | ml/mol | McGowan Calculated Property |
| Pc | 3220.98 | kPa | Joback Calculated Property |
| Tboil | 508.72 | K | Relay (1.0) Calculated Property |
| Tc | 716.10 | K | Relay (1.0) Calculated Property |
| Tfus | 302.38 | 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 | [239.00; 290.91] | J/mol×K | [511.49; 712.24] | 
|
| Cp,gas | 239.00 | J/mol×K | 511.49 | Joback Calculated Property |
| Cp,gas | 248.78 | J/mol×K | 544.95 | Joback Calculated Property |
| Cp,gas | 258.08 | J/mol×K | 578.41 | Joback Calculated Property |
| Cp,gas | 266.93 | J/mol×K | 611.86 | Joback Calculated Property |
| Cp,gas | 275.34 | J/mol×K | 645.32 | Joback Calculated Property |
| Cp,gas | 283.33 | J/mol×K | 678.78 | Joback Calculated Property |
| Cp,gas | 290.91 | J/mol×K | 712.24 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 401.20 | K | 3.60 | NIST |
Similar Compounds
Find more compounds similar to Hexanenitrile, 6-amino-.
Sources
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