Chemical Properties of Hexanedinitrile (CAS 111-69-3)

InChI

InChI=1S/C6H8N2/c7-5-3-1-2-4-6-8/h1-4H2

InChI Key

BTGRAWJCKBQKAO-UHFFFAOYSA-N

Formula

C6H8N2

SMILES

N#CCCCCC#N

Molecular Weight¹

108.14

CAS

111-69-3

Other Names

• 1,4-DICYANOBUTANE
• ADIPIC ACID DINITRILE
• ADIPONITRILE
• Adipic acid nitrile
• Adipic dinitrile
• Adipodinitrile
• Adipyldinitrile
• HEXANEDIOIC ACID DINITRILE
• NSC 7617
• Nitrile adipico
• Tetramethylene cyanide
• Tetramethylene dicyanide
• UN 2205

• 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_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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• NFPA Fire : NFPA Fire Rating.
• NFPA Health : NFPA Health Rating.
• P_c : Critical Pressure (kPa).
• P_vap : Vapor pressure (kPa).
• ρ_l : Liquid Density (kg/m³).
• 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
ΔfG°	266.00	kJ/mol	Joback Calculated Property
ΔfH°gas	149.00 ± 2.00	kJ/mol	NIST
ΔfH°liquid	84.90 ± 0.40	kJ/mol	NIST
ΔfusH°	18.03	kJ/mol	Fusion ...
ΔvapH°	[64.00; 64.10]	kJ/mol
ΔvapH°	64.00 ± 1.00	kJ/mol	NIST
ΔvapH°	64.10	kJ/mol	NIST
log10WS	-2.07		Crippen Calculated Property
logPoct/wat	1.594		Crippen Calculated Property
McVol	98.160	ml/mol	McGowan Calculated Property
NFPA Fire	2		KDB
NFPA Health	4		KDB
Pc	2940.89	kPa	Joback Calculated Property
Inp	1090.00		NIST
Tboil	568.20	K	NIST
Tc	748.95	K	Joback Calculated Property
Tfus	287.36	K	Joback Calculated Property
Vc	0.423	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[208.40; 248.56]	J/mol×K	[540.84; 748.95]
T(K) Ideal gas heat capacity (J/mol×K) 210 220 230 240 250 600 700
Cp,gas	208.40	J/mol×K	540.84	Joback Calculated Property
Cp,gas	216.00	J/mol×K	575.53	Joback Calculated Property
Cp,gas	223.23	J/mol×K	610.21	Joback Calculated Property
Cp,gas	230.08	J/mol×K	644.90	Joback Calculated Property
Cp,gas	236.58	J/mol×K	679.58	Joback Calculated Property
Cp,gas	242.74	J/mol×K	714.27	Joback Calculated Property
Cp,gas	248.56	J/mol×K	748.95	Joback Calculated Property
ΔfusH	18.00	kJ/mol	275.00	NIST
ΔvapH	58.70	kJ/mol	435.50	NIST
ρl	975.26	kg/m3	298.15	Compres...

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[423.82; 601.89]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.62876e+01
Coefficient B			-6.22480e+03
Coefficient C			-3.47660e+01
Temperature range, min.			423.82
Temperature range, max.			601.89
T(K) Vapor pressure (kPa) 0 50 100 150 200 450 500 550 600
Pvap	1.33	kPa	423.82	Calculated Property
Pvap	2.89	kPa	443.61	Calculated Property
Pvap	5.84	kPa	463.39	Calculated Property
Pvap	11.09	kPa	483.18	Calculated Property
Pvap	19.93	kPa	502.96	Calculated Property
Pvap	34.17	kPa	522.75	Calculated Property
Pvap	56.18	kPa	542.53	Calculated Property
Pvap	88.97	kPa	562.32	Calculated Property
Pvap	136.29	kPa	582.10	Calculated Property
Pvap	202.66	kPa	601.89	Calculated Property
Pvap	[4.75e-06; 3197.13]	kPa	[275.64; 781.00]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			2.46196e+02
Coefficient B			-1.98500e+04
Coefficient C			-3.33952e+01
Coefficient D			1.59380e-05
Temperature range, min.			275.64
Temperature range, max.			781.00
T(K) Vapor pressure (kPa) 0 500 1000 1500 2000 2500 3000 3500 400 600
Pvap	4.75e-06	kPa	275.64	Calculated Property
Pvap	3.28e-03	kPa	331.79	Calculated Property
Pvap	0.19	kPa	387.94	Calculated Property
Pvap	2.90	kPa	444.09	Calculated Property
Pvap	19.09	kPa	500.24	Calculated Property
Pvap	77.23	kPa	556.40	Calculated Property
Pvap	233.32	kPa	612.55	Calculated Property
Pvap	596.56	kPa	668.70	Calculated Property
Pvap	1401.32	kPa	724.85	Calculated Property
Pvap	3197.13	kPa	781.00	Calculated Property

Similar Compounds

Find more compounds similar to Hexanedinitrile.

Mixtures

• Acetonitrile + Hexanedinitrile
• Acetonitrile + Hexanedinitrile + Silver Nitrate

Sources

• KDB Vapor Pressure Data
• 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
• Compressibility Studies of Some Copper(I), Silver(I), and Tetrabutylammonium Salts in Acetonitrile + Adiponitrile Binary Mixtures
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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