Chemical Properties of Pentadecanenitrile (CAS 18300-91-9)

InChI

InChI=1S/C15H29N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h2-14H2,1H3

InChI Key

KRKQHNVYOWTEQO-UHFFFAOYSA-N

Formula

C15H29N

SMILES

CCCCCCCCCCCCCCC#N

Molecular Weight¹

223.40

CAS

18300-91-9

Other Names

• 1-tetradecyl cyanide
• Pentadecanitrile
• Pentadecanonitrile
• n-Pentadecanonitrile
• tetradecyl 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).
• 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).
• 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
Pvap	[1.05e-03; 0.02]	kPa	[336.20; 372.10]
Pvap	1.05e-03	kPa	336.20	Vapor Pressures and Enthalpies of Vaporization of a Series of the Linear Aliphatic Nitriles.
Pvap	1.37e-03	kPa	339.20	Vapor Pressures and Enthalpies of Vaporization of a Series of the Linear Aliphatic Nitriles.
Pvap	1.76e-03	kPa	342.10	Vapor Pressures and Enthalpies of Vaporization of a Series of the Linear Aliphatic Nitriles.
Pvap	2.19e-03	kPa	345.20	Vapor Pressures and Enthalpies of Vaporization of a Series of the Linear Aliphatic Nitriles.
Pvap	2.87e-03	kPa	348.10	Vapor Pressures and Enthalpies of Vaporization of a Series of the Linear Aliphatic Nitriles.
Pvap	3.56e-03	kPa	351.20	Vapor Pressures and Enthalpies of Vaporization of a Series of the Linear Aliphatic Nitriles.
Pvap	4.59e-03	kPa	354.20	Vapor Pressures and Enthalpies of Vaporization of a Series of the Linear Aliphatic Nitriles.
Pvap	5.67e-03	kPa	357.20	Vapor Pressures and Enthalpies of Vaporization of a Series of the Linear Aliphatic Nitriles.
Pvap	7.04e-03	kPa	360.20	Vapor Pressures and Enthalpies of Vaporization of a Series of the Linear Aliphatic Nitriles.
Pvap	9.01e-03	kPa	363.20	Vapor Pressures and Enthalpies of Vaporization of a Series of the Linear Aliphatic Nitriles.
Pvap	0.01	kPa	366.20	Vapor Pressures and Enthalpies of Vaporization of a Series of the Linear Aliphatic Nitriles.
Pvap	0.01	kPa	369.10	Vapor Pressures and Enthalpies of Vaporization of a Series of the Linear Aliphatic Nitriles.
Pvap	0.02	kPa	372.10	Vapor Pressures and Enthalpies of Vaporization of a Series of the Linear Aliphatic Nitriles.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[325.07; 769.67]	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			6.25300e+00
Coefficient B			1.36362e+00
Coefficient C			-7.61200e-04
Coefficient D			1.61000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	325.07	J/mol×K	273.00	Calculated Property
Cp,gas	400.53	J/mol×K	353.78	Calculated Property
Cp,gas	468.29	J/mol×K	434.56	Calculated Property
Cp,gas	528.85	J/mol×K	515.33	Calculated Property
Cp,gas	582.73	J/mol×K	596.11	Calculated Property
Cp,gas	630.44	J/mol×K	676.89	Calculated Property
Cp,gas	672.48	J/mol×K	757.67	Calculated Property
Cp,gas	709.35	J/mol×K	838.44	Calculated Property
Cp,gas	741.58	J/mol×K	919.22	Calculated Property
Cp,gas	769.67	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[449.62; 630.81]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.48225e+01
Coefficient B			-4.98573e+03
Coefficient C			-1.06602e+02
Temperature range, min.			449.62
Temperature range, max.			630.81
Pvap	1.33	kPa	449.62	Calculated Property
Pvap	2.98	kPa	469.75	Calculated Property
Pvap	6.14	kPa	489.88	Calculated Property
Pvap	11.75	kPa	510.02	Calculated Property
Pvap	21.14	kPa	530.15	Calculated Property
Pvap	36.06	kPa	550.28	Calculated Property
Pvap	58.73	kPa	570.41	Calculated Property
Pvap	91.85	kPa	590.55	Calculated Property
Pvap	138.61	kPa	610.68	Calculated Property
Pvap	202.65	kPa	630.81	Calculated Property

Similar Compounds

Find more compounds similar to Pentadecanenitrile.

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
• The Yaws Handbook of Vapor Pressure

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