Chemical Properties of Hexanenitrile, 6-amino- (CAS 2432-74-8)

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

• 6-Aminocapronitrile
• 6-Aminohexanenitrile
• 6-aminohexanonitrile
• «omega»-Aminocapronitrile

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

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.

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[154.52; 341.33]	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			2.09250e+01
Coefficient B			5.70500e-01
Coefficient C			-3.15000e-04
Coefficient D			6.49000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	154.52	J/mol×K	273.00	Calculated Property
Cp,gas	186.20	J/mol×K	353.78	Calculated Property
Cp,gas	214.68	J/mol×K	434.56	Calculated Property
Cp,gas	240.15	J/mol×K	515.33	Calculated Property
Cp,gas	262.82	J/mol×K	596.11	Calculated Property
Cp,gas	282.89	J/mol×K	676.89	Calculated Property
Cp,gas	300.57	J/mol×K	757.67	Calculated Property
Cp,gas	316.07	J/mol×K	838.44	Calculated Property
Cp,gas	329.58	J/mol×K	919.22	Calculated Property
Cp,gas	341.32	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Hexanenitrile, 6-amino-.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
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