Chemical Properties of Tridecanenitrile (CAS 629-60-7)

InChI

InChI=1S/C13H25N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h2-12H2,1H3

InChI Key

WKJHMKQSIBMURP-UHFFFAOYSA-N

Formula

C13H25N

SMILES

CCCCCCCCCCCCC#N

Molecular Weight¹

195.34

CAS

629-60-7

Other Names

• 1-Cyanododecane
• dodecanecarbonitrile
• dodecyl cyanide
• n-Dodecyl cyanide
• tridecanonitrile

• 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

Property	Value	Unit	Source
ω	0.7169		Relay (1.0) Calculated Property
ΔfG°	191.76	kJ/mol	Joback Calculated Property
ΔfH°gas	-159.69	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	30.93	kJ/mol	Joback Calculated Property
ΔvapH°	80.30 ± 0.40	kJ/mol	NIST
IE	10.65	eV	Relay (1.0) Calculated Property
log10WS	-5.96		Relay (1.0) Calculated Property
logPoct/wat	4.821		Crippen Calculated Property
McVol	195.410	ml/mol	McGowan Calculated Property
Pc	1611.58	kPa	Joback Calculated Property
Inp	[270.65; 1592.00]
Inp	1592.00		NIST
Inp	270.65		NIST
Tboil	548.00 ± 5.00	K	NIST
Tc	756.22	K	Relay (1.0) Calculated Property
Tfus	282.85 ± 1.00	K	NIST
Vc	0.774	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ΔvapH	69.50	kJ/mol	473.00	NIST
Pvap	[2.40e-04; 0.04]	kPa	[301.20; 363.20]
Pvap	2.40e-04	kPa	301.20	Vapor Pressures and Enthalpies of Vaporization of a Series of the Linear Aliphatic Nitriles.
Pvap	7.50e-04	kPa	313.30	Vapor Pressures and Enthalpies of Vaporization of a Series of the Linear Aliphatic Nitriles.
Pvap	1.20e-03	kPa	318.10	Vapor Pressures and Enthalpies of Vaporization of a Series of the Linear Aliphatic Nitriles.
Pvap	2.05e-03	kPa	324.10	Vapor Pressures and Enthalpies of Vaporization of a Series of the Linear Aliphatic Nitriles.
Pvap	2.80e-03	kPa	327.20	Vapor Pressures and Enthalpies of Vaporization of a Series of the Linear Aliphatic Nitriles.
Pvap	3.64e-03	kPa	330.20	Vapor Pressures and Enthalpies of Vaporization of a Series of the Linear Aliphatic Nitriles.
Pvap	4.66e-03	kPa	333.10	Vapor Pressures and Enthalpies of Vaporization of a Series of the Linear Aliphatic Nitriles.
Pvap	5.94e-03	kPa	336.20	Vapor Pressures and Enthalpies of Vaporization of a Series of the Linear Aliphatic Nitriles.
Pvap	7.54e-03	kPa	339.20	Vapor Pressures and Enthalpies of Vaporization of a Series of the Linear Aliphatic Nitriles.
Pvap	9.50e-03	kPa	342.10	Vapor Pressures and Enthalpies of Vaporization of a Series of the Linear Aliphatic Nitriles.
Pvap	0.01	kPa	345.20	Vapor Pressures and Enthalpies of Vaporization of a Series of the Linear Aliphatic Nitriles.
Pvap	0.01	kPa	348.20	Vapor Pressures and Enthalpies of Vaporization of a Series of the Linear Aliphatic Nitriles.
Pvap	0.02	kPa	351.20	Vapor Pressures and Enthalpies of Vaporization of a Series of the Linear Aliphatic Nitriles.
Pvap	0.02	kPa	354.20	Vapor Pressures and Enthalpies of Vaporization of a Series of the Linear Aliphatic Nitriles.
Pvap	0.03	kPa	357.20	Vapor Pressures and Enthalpies of Vaporization of a Series of the Linear Aliphatic Nitriles.
Pvap	0.03	kPa	360.20	Vapor Pressures and Enthalpies of Vaporization of a Series of the Linear Aliphatic Nitriles.
Pvap	0.04	kPa	363.20	Vapor Pressures and Enthalpies of Vaporization of a Series of the Linear Aliphatic Nitriles.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[282.64; 666.49]	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			8.07100e+00
Coefficient B			1.17362e+00
Coefficient C			-6.52400e-04
Coefficient D			1.37200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	282.64	J/mol×K	273.00	Calculated Property
Cp,gas	347.69	J/mol×K	353.78	Calculated Property
Cp,gas	406.13	J/mol×K	434.56	Calculated Property
Cp,gas	458.40	J/mol×K	515.33	Calculated Property
Cp,gas	504.91	J/mol×K	596.11	Calculated Property
Cp,gas	546.12	J/mol×K	676.89	Calculated Property
Cp,gas	582.44	J/mol×K	757.67	Calculated Property
Cp,gas	614.32	J/mol×K	838.44	Calculated Property
Cp,gas	642.20	J/mol×K	919.22	Calculated Property
Cp,gas	666.49	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Tridecanenitrile.

Mixtures

• Tridecanenitrile + Methane, (methylsulfinyl)(methylthio)-
• Tridecanenitrile + Dimethyl Sulfoxide

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Vapor Pressures and Enthalpies of Vaporization of a Series of the Linear Aliphatic Nitriles.
• Excess Enthalpies of {CH3(CH2)nCN, n = 5 to 12} + Methyl Methylthiomethyl Sulfoxide or + Dimethyl Sulfoxide at 298.15 K
• Joback Method
• McGowan Method
• NIST Webbook

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