Chemical Properties of Undecanenitrile (CAS 2244-07-7)

InChI

InChI=1S/C11H21N/c1-2-3-4-5-6-7-8-9-10-11-12/h2-10H2,1H3

InChI Key

SZKKNEOUHLFYNA-UHFFFAOYSA-N

Formula

C11H21N

SMILES

CCCCCCCCCCC#N

Molecular Weight¹

167.29

CAS

2244-07-7

Other Names

• 1-Cyanodecane
• 1-decylcyanide
• Undecanoic acid nitrile
• Undecanonitrile
• n-Decyl cyanide

• ω : Acentric Factor.
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• 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_fH°_liquid : Liquid phase 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	0.6469		Relay (1.0) Calculated Property
ΔcH°liquid	-7145.30 ± 1.30	kJ/mol	NIST
ΔfG°	174.92	kJ/mol	Joback Calculated Property
ΔfH°gas	-113.40 ± 2.00	kJ/mol	NIST
ΔfH°liquid	-184.50 ± 2.00	kJ/mol	NIST
ΔfusH°	25.75	kJ/mol	Joback Calculated Property
ΔvapH°	[71.10; 71.80]	kJ/mol
ΔvapH°	71.14	kJ/mol	NIST
ΔvapH°	71.80 ± 0.30	kJ/mol	NIST
ΔvapH°	71.14 ± 0.14	kJ/mol	NIST
ΔvapH°	71.10	kJ/mol	NIST
ΔvapH°	71.10 ± 0.10	kJ/mol	NIST
IE	10.72	eV	Relay (1.0) Calculated Property
log10WS	-5.03		Relay (1.0) Calculated Property
logPoct/wat	4.041		Crippen Calculated Property
McVol	167.230	ml/mol	McGowan Calculated Property
Pc	1892.00	kPa	Joback Calculated Property
Inp	237.44		NIST
Tboil	526.20	K	NIST
Tc	721.71	K	Relay (1.0) Calculated Property
Tfus	267.35 ± 1.00	K	NIST
Vc	0.658	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[406.85; 483.36]	J/mol×K	[553.16; 732.71]
Cp,gas	406.85	J/mol×K	553.16	Joback Calculated Property
Cp,gas	421.09	J/mol×K	583.08	Joback Calculated Property
Cp,gas	434.71	J/mol×K	613.01	Joback Calculated Property
Cp,gas	447.72	J/mol×K	642.93	Joback Calculated Property
Cp,gas	460.16	J/mol×K	672.86	Joback Calculated Property
Cp,gas	472.04	J/mol×K	702.78	Joback Calculated Property
Cp,gas	483.36	J/mol×K	732.71	Joback Calculated Property
ΔvapH	63.70	kJ/mol	444.50	NIST
Pvap	[6.20e-04; 0.04]	kPa	[290.30; 340.30]
Pvap	6.20e-04	kPa	290.30	Vapor Pressures and Enthalpies of Vaporization of a Series of the Linear Aliphatic Nitriles.
Pvap	1.31e-03	kPa	298.20	Vapor Pressures and Enthalpies of Vaporization of a Series of the Linear Aliphatic Nitriles.
Pvap	2.55e-03	kPa	305.20	Vapor Pressures and Enthalpies of Vaporization of a Series of the Linear Aliphatic Nitriles.
Pvap	3.08e-03	kPa	307.20	Vapor Pressures and Enthalpies of Vaporization of a Series of the Linear Aliphatic Nitriles.
Pvap	3.74e-03	kPa	309.20	Vapor Pressures and Enthalpies of Vaporization of a Series of the Linear Aliphatic Nitriles.
Pvap	4.02e-03	kPa	310.20	Vapor Pressures and Enthalpies of Vaporization of a Series of the Linear Aliphatic Nitriles.
Pvap	5.10e-03	kPa	313.20	Vapor Pressures and Enthalpies of Vaporization of a Series of the Linear Aliphatic Nitriles.
Pvap	5.77e-03	kPa	314.20	Vapor Pressures and Enthalpies of Vaporization of a Series of the Linear Aliphatic Nitriles.
Pvap	8.34e-03	kPa	319.10	Vapor Pressures and Enthalpies of Vaporization of a Series of the Linear Aliphatic Nitriles.
Pvap	8.77e-03	kPa	319.20	Vapor Pressures and Enthalpies of Vaporization of a Series of the Linear Aliphatic Nitriles.
Pvap	0.01	kPa	322.10	Vapor Pressures and Enthalpies of Vaporization of a Series of the Linear Aliphatic Nitriles.
Pvap	0.01	kPa	322.20	Vapor Pressures and Enthalpies of Vaporization of a Series of the Linear Aliphatic Nitriles.
Pvap	0.01	kPa	325.20	Vapor Pressures and Enthalpies of Vaporization of a Series of the Linear Aliphatic Nitriles.
Pvap	0.01	kPa	325.30	Vapor Pressures and Enthalpies of Vaporization of a Series of the Linear Aliphatic Nitriles.
Pvap	0.02	kPa	327.20	Vapor Pressures and Enthalpies of Vaporization of a Series of the Linear Aliphatic Nitriles.
Pvap	0.02	kPa	328.20	Vapor Pressures and Enthalpies of Vaporization of a Series of the Linear Aliphatic Nitriles.
Pvap	0.02	kPa	331.30	Vapor Pressures and Enthalpies of Vaporization of a Series of the Linear Aliphatic Nitriles.
Pvap	0.02	kPa	332.20	Vapor Pressures and Enthalpies of Vaporization of a Series of the Linear Aliphatic Nitriles.
Pvap	0.03	kPa	334.20	Vapor Pressures and Enthalpies of Vaporization of a Series of the Linear Aliphatic Nitriles.
Pvap	0.03	kPa	337.20	Vapor Pressures and Enthalpies of Vaporization of a Series of the Linear Aliphatic Nitriles.
Pvap	0.04	kPa	337.30	Vapor Pressures and Enthalpies of Vaporization of a Series of the Linear Aliphatic Nitriles.
Pvap	0.04	kPa	340.30	Vapor Pressures and Enthalpies of Vaporization of a Series of the Linear Aliphatic Nitriles.

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[400.02; 556.57]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.52806e+01
Coefficient B			-4.65763e+03
Coefficient C			-8.93660e+01
Temperature range, min.			400.02
Temperature range, max.			556.57
Pvap	1.33	kPa	400.02	Calculated Property
Pvap	2.95	kPa	417.41	Calculated Property
Pvap	6.03	kPa	434.81	Calculated Property
Pvap	11.52	kPa	452.20	Calculated Property
Pvap	20.72	kPa	469.60	Calculated Property
Pvap	35.41	kPa	486.99	Calculated Property
Pvap	57.85	kPa	504.39	Calculated Property
Pvap	90.86	kPa	521.78	Calculated Property
Pvap	137.81	kPa	539.18	Calculated Property
Pvap	202.63	kPa	556.57	Calculated Property

Similar Compounds

Find more compounds similar to Undecanenitrile.

Mixtures

• Undecanenitrile + Methane, (methylsulfinyl)(methylthio)-
• Undecanenitrile + 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
• The Yaws Handbook of Vapor Pressure

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