Chemical Properties of Heptanedinitrile (CAS 646-20-8)

InChI

InChI=1S/C7H10N2/c8-6-4-2-1-3-5-7-9/h1-5H2

InChI Key

LLEVMYXEJUDBTA-UHFFFAOYSA-N

Formula

C7H10N2

SMILES

N#CCCCCCC#N

Molecular Weight¹

122.17

CAS

646-20-8

Other Names

• 1,5-dicyanopentane
• Pentamethylene dicyanide
• pimelic acid dinitrile
• pimelonitrile

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• ε_r : Dielectric Constant (Relative permittivity).
• 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_fusH : Enthalpy of fusion at a given temperature (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).
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (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	[251.00; 297.14]	J/mol×K	[563.92; 768.91]
Cp,gas	251.00	J/mol×K	563.92	Joback Calculated Property
Cp,gas	259.74	J/mol×K	598.09	Joback Calculated Property
Cp,gas	268.04	J/mol×K	632.25	Joback Calculated Property
Cp,gas	275.92	J/mol×K	666.42	Joback Calculated Property
Cp,gas	283.39	J/mol×K	700.58	Joback Calculated Property
Cp,gas	290.46	J/mol×K	734.75	Joback Calculated Property
Cp,gas	297.14	J/mol×K	768.91	Joback Calculated Property
εr	[26.32; 36.21]		[248.15; 333.15]
εr	36.21		248.15	Temperature Dependence of the Relative Static Permittivity of Homologous Series of Liquid 1,n-Dicyanoalkanes N=C (CH2)n C=N, n = 2 to 6
εr	35.82		250.65	Temperature Dependence of the Relative Static Permittivity of Homologous Series of Liquid 1,n-Dicyanoalkanes N=C (CH2)n C=N, n = 2 to 6
εr	35.44		253.15	Temperature Dependence of the Relative Static Permittivity of Homologous Series of Liquid 1,n-Dicyanoalkanes N=C (CH2)n C=N, n = 2 to 6
εr	35.06		255.65	Temperature Dependence of the Relative Static Permittivity of Homologous Series of Liquid 1,n-Dicyanoalkanes N=C (CH2)n C=N, n = 2 to 6
εr	34.70		258.15	Temperature Dependence of the Relative Static Permittivity of Homologous Series of Liquid 1,n-Dicyanoalkanes N=C (CH2)n C=N, n = 2 to 6
εr	34.35		260.65	Temperature Dependence of the Relative Static Permittivity of Homologous Series of Liquid 1,n-Dicyanoalkanes N=C (CH2)n C=N, n = 2 to 6
εr	33.99		263.15	Temperature Dependence of the Relative Static Permittivity of Homologous Series of Liquid 1,n-Dicyanoalkanes N=C (CH2)n C=N, n = 2 to 6
εr	33.65		265.65	Temperature Dependence of the Relative Static Permittivity of Homologous Series of Liquid 1,n-Dicyanoalkanes N=C (CH2)n C=N, n = 2 to 6
εr	33.31		268.15	Temperature Dependence of the Relative Static Permittivity of Homologous Series of Liquid 1,n-Dicyanoalkanes N=C (CH2)n C=N, n = 2 to 6
εr	32.98		270.65	Temperature Dependence of the Relative Static Permittivity of Homologous Series of Liquid 1,n-Dicyanoalkanes N=C (CH2)n C=N, n = 2 to 6
εr	32.66		273.15	Temperature Dependence of the Relative Static Permittivity of Homologous Series of Liquid 1,n-Dicyanoalkanes N=C (CH2)n C=N, n = 2 to 6
εr	32.36		275.65	Temperature Dependence of the Relative Static Permittivity of Homologous Series of Liquid 1,n-Dicyanoalkanes N=C (CH2)n C=N, n = 2 to 6
εr	32.04		278.15	Temperature Dependence of the Relative Static Permittivity of Homologous Series of Liquid 1,n-Dicyanoalkanes N=C (CH2)n C=N, n = 2 to 6
εr	31.73		280.65	Temperature Dependence of the Relative Static Permittivity of Homologous Series of Liquid 1,n-Dicyanoalkanes N=C (CH2)n C=N, n = 2 to 6
εr	31.43		283.15	Temperature Dependence of the Relative Static Permittivity of Homologous Series of Liquid 1,n-Dicyanoalkanes N=C (CH2)n C=N, n = 2 to 6
εr	31.14		285.65	Temperature Dependence of the Relative Static Permittivity of Homologous Series of Liquid 1,n-Dicyanoalkanes N=C (CH2)n C=N, n = 2 to 6
εr	30.86		288.15	Temperature Dependence of the Relative Static Permittivity of Homologous Series of Liquid 1,n-Dicyanoalkanes N=C (CH2)n C=N, n = 2 to 6
εr	30.57		290.65	Temperature Dependence of the Relative Static Permittivity of Homologous Series of Liquid 1,n-Dicyanoalkanes N=C (CH2)n C=N, n = 2 to 6
εr	30.28		293.15	Temperature Dependence of the Relative Static Permittivity of Homologous Series of Liquid 1,n-Dicyanoalkanes N=C (CH2)n C=N, n = 2 to 6
εr	30.00		295.65	Temperature Dependence of the Relative Static Permittivity of Homologous Series of Liquid 1,n-Dicyanoalkanes N=C (CH2)n C=N, n = 2 to 6
εr	29.71		298.15	Temperature Dependence of the Relative Static Permittivity of Homologous Series of Liquid 1,n-Dicyanoalkanes N=C (CH2)n C=N, n = 2 to 6
εr	29.45		300.65	Temperature Dependence of the Relative Static Permittivity of Homologous Series of Liquid 1,n-Dicyanoalkanes N=C (CH2)n C=N, n = 2 to 6
εr	29.18		303.15	Temperature Dependence of the Relative Static Permittivity of Homologous Series of Liquid 1,n-Dicyanoalkanes N=C (CH2)n C=N, n = 2 to 6
εr	28.92		305.65	Temperature Dependence of the Relative Static Permittivity of Homologous Series of Liquid 1,n-Dicyanoalkanes N=C (CH2)n C=N, n = 2 to 6
εr	28.67		308.15	Temperature Dependence of the Relative Static Permittivity of Homologous Series of Liquid 1,n-Dicyanoalkanes N=C (CH2)n C=N, n = 2 to 6
εr	28.42		310.65	Temperature Dependence of the Relative Static Permittivity of Homologous Series of Liquid 1,n-Dicyanoalkanes N=C (CH2)n C=N, n = 2 to 6
εr	28.17		313.15	Temperature Dependence of the Relative Static Permittivity of Homologous Series of Liquid 1,n-Dicyanoalkanes N=C (CH2)n C=N, n = 2 to 6
εr	27.94		315.65	Temperature Dependence of the Relative Static Permittivity of Homologous Series of Liquid 1,n-Dicyanoalkanes N=C (CH2)n C=N, n = 2 to 6
εr	27.68		318.15	Temperature Dependence of the Relative Static Permittivity of Homologous Series of Liquid 1,n-Dicyanoalkanes N=C (CH2)n C=N, n = 2 to 6
εr	27.46		320.65	Temperature Dependence of the Relative Static Permittivity of Homologous Series of Liquid 1,n-Dicyanoalkanes N=C (CH2)n C=N, n = 2 to 6
εr	27.23		323.15	Temperature Dependence of the Relative Static Permittivity of Homologous Series of Liquid 1,n-Dicyanoalkanes N=C (CH2)n C=N, n = 2 to 6
εr	27.00		325.65	Temperature Dependence of the Relative Static Permittivity of Homologous Series of Liquid 1,n-Dicyanoalkanes N=C (CH2)n C=N, n = 2 to 6
εr	26.77		328.15	Temperature Dependence of the Relative Static Permittivity of Homologous Series of Liquid 1,n-Dicyanoalkanes N=C (CH2)n C=N, n = 2 to 6
εr	26.56		330.65	Temperature Dependence of the Relative Static Permittivity of Homologous Series of Liquid 1,n-Dicyanoalkanes N=C (CH2)n C=N, n = 2 to 6
εr	26.32		333.15	Temperature Dependence of the Relative Static Permittivity of Homologous Series of Liquid 1,n-Dicyanoalkanes N=C (CH2)n C=N, n = 2 to 6
ΔfusH	15.00	kJ/mol	241.70	NIST
ΔvapH	74.50	kJ/mol	318.50	NIST

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[2.77e-04; 2.33e-03]	kPa	[306.15; 330.15]	KDB Vapor Pressure Data
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			1.64050e+02
Coefficient B			-1.46677e+04
Coefficient C			-2.20521e+01
Coefficient D			2.02482e-05
Temperature range, min.			306.15
Temperature range, max.			330.15
Pvap	2.77e-04	kPa	306.15	Calculated Property
Pvap	3.58e-04	kPa	308.82	Calculated Property
Pvap	4.60e-04	kPa	311.48	Calculated Property
Pvap	5.88e-04	kPa	314.15	Calculated Property
Pvap	7.48e-04	kPa	316.82	Calculated Property
Pvap	9.47e-04	kPa	319.48	Calculated Property
Pvap	1.19e-03	kPa	322.15	Calculated Property
Pvap	1.50e-03	kPa	324.82	Calculated Property
Pvap	1.87e-03	kPa	327.48	Calculated Property
Pvap	2.33e-03	kPa	330.15	Calculated Property

Similar Compounds

Find more compounds similar to Heptanedinitrile.

Sources

• KDB Vapor Pressure Data
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Fusion and solid-to-solid transitions of a homologous series of alkane-a,w-dinitriles
• Temperature Dependence of the Relative Static Permittivity of Homologous Series of Liquid 1,n-Dicyanoalkanes N=C (CH2)n C=N, n = 2 to 6
• Joback Method
• KDB
• McGowan Method
• NIST Webbook

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