Chemical Properties of 2-Nonenenitrile (CAS 29127-83-1)

InChI

InChI=1S/C9H15N/c1-2-3-4-5-6-7-8-9-10/h7-8H,2-6H2,1H3/b8-7+

InChI Key

WOVJAWMZNOWDII-BQYQJAHWSA-N

Formula

C9H15N

SMILES

CCCCCCC=CC#N

Molecular Weight¹

137.22

CAS

29127-83-1

Other Names

• non-2-enenitrile

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.4833		Relay (1.0) Calculated Property
ΔfG°	238.30	kJ/mol	Joback Calculated Property
ΔfH°gas	26.06	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	20.77	kJ/mol	Joback Calculated Property
ΔvapH°	60.65	kJ/mol	Relay (1.0) Calculated Property
IE	9.90	eV	Relay (1.0) Calculated Property
log10WS	-3.62		Relay (1.0) Calculated Property
logPoct/wat	3.037		Crippen Calculated Property
McVol	134.750	ml/mol	McGowan Calculated Property
Pc	2367.97	kPa	Joback Calculated Property
Inp	[1194.00; 1194.00]
Inp	1194.00		NIST
Inp	1194.00		NIST
Tboil	478.59	K	Relay (1.0) Calculated Property
Tc	676.00	K	Relay (1.0) Calculated Property
Tfus	204.54	K	Relay (1.0) Calculated Property
Vc	0.511	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[183.78; 429.54]	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			-2.47500e+00
Coefficient B			8.13620e-01
Coefficient C			-5.18600e-04
Coefficient D			1.37000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	183.78	J/mol×K	273.00	Calculated Property
Cp,gas	226.52	J/mol×K	353.78	Calculated Property
Cp,gas	264.40	J/mol×K	434.56	Calculated Property
Cp,gas	297.84	J/mol×K	515.33	Calculated Property
Cp,gas	327.27	J/mol×K	596.11	Calculated Property
Cp,gas	353.13	J/mol×K	676.89	Calculated Property
Cp,gas	375.86	J/mol×K	757.67	Calculated Property
Cp,gas	395.88	J/mol×K	838.44	Calculated Property
Cp,gas	413.63	J/mol×K	919.22	Calculated Property
Cp,gas	429.54	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 2-Nonenenitrile.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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