Chemical Properties of Heptadecanenitrile (CAS 5399-02-0)

InChI

InChI=1S/C17H33N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18/h2-16H2,1H3

InChI Key

ZXPWFWWSCFIFII-UHFFFAOYSA-N

Formula

C17H33N

SMILES

CCCCCCCCCCCCCCCCC#N

Molecular Weight¹

251.45

CAS

5399-02-0

Other Names

• 1-cyanohexadecane
• Cetyl cyanide
• Heptadecanoic acid nitrile
• Margaronitrile
• heptadecanonitrile
• hexadecyl cyanide

• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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).
• P_vap : Vapor 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

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[723.21; 816.81]	J/mol×K	[690.44; 864.67]
Cp,gas	723.21	J/mol×K	690.44	Joback Calculated Property
Cp,gas	740.70	J/mol×K	719.48	Joback Calculated Property
Cp,gas	757.41	J/mol×K	748.52	Joback Calculated Property
Cp,gas	773.34	J/mol×K	777.56	Joback Calculated Property
Cp,gas	788.54	J/mol×K	806.59	Joback Calculated Property
Cp,gas	803.02	J/mol×K	835.63	Joback Calculated Property
Cp,gas	816.81	J/mol×K	864.67	Joback Calculated Property
ΔvapH	81.20	kJ/mol	522.50	NIST
Pvap	[5.50e-04; 0.01]	kPa	[348.20; 385.20]
Pvap	5.50e-04	kPa	348.20	Vapor Pressures and Enthalpies of Vaporization of a Series of the Linear Aliphatic Nitriles.
Pvap	7.20e-04	kPa	351.20	Vapor Pressures and Enthalpies of Vaporization of a Series of the Linear Aliphatic Nitriles.
Pvap	9.30e-04	kPa	354.20	Vapor Pressures and Enthalpies of Vaporization of a Series of the Linear Aliphatic Nitriles.
Pvap	1.17e-03	kPa	357.20	Vapor Pressures and Enthalpies of Vaporization of a Series of the Linear Aliphatic Nitriles.
Pvap	1.56e-03	kPa	360.20	Vapor Pressures and Enthalpies of Vaporization of a Series of the Linear Aliphatic Nitriles.
Pvap	2.01e-03	kPa	363.20	Vapor Pressures and Enthalpies of Vaporization of a Series of the Linear Aliphatic Nitriles.
Pvap	2.52e-03	kPa	366.20	Vapor Pressures and Enthalpies of Vaporization of a Series of the Linear Aliphatic Nitriles.
Pvap	3.16e-03	kPa	369.10	Vapor Pressures and Enthalpies of Vaporization of a Series of the Linear Aliphatic Nitriles.
Pvap	4.02e-03	kPa	372.10	Vapor Pressures and Enthalpies of Vaporization of a Series of the Linear Aliphatic Nitriles.
Pvap	5.32e-03	kPa	376.20	Vapor Pressures and Enthalpies of Vaporization of a Series of the Linear Aliphatic Nitriles.
Pvap	6.78e-03	kPa	379.20	Vapor Pressures and Enthalpies of Vaporization of a Series of the Linear Aliphatic Nitriles.
Pvap	8.24e-03	kPa	382.20	Vapor Pressures and Enthalpies of Vaporization of a Series of the Linear Aliphatic Nitriles.
Pvap	0.01	kPa	385.20	Vapor Pressures and Enthalpies of Vaporization of a Series of the Linear Aliphatic Nitriles.

Similar Compounds

Find more compounds similar to Heptadecanenitrile.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Vapor Pressures and Enthalpies of Vaporization of a Series of the Linear Aliphatic Nitriles.
• Joback Method
• McGowan Method
• NIST Webbook

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