Chemical Properties of Butanedinitrile (CAS 110-61-2)

InChI

InChI=1S/C4H4N2/c5-3-1-2-4-6/h1-2H2

InChI Key

IAHFWCOBPZCAEA-UHFFFAOYSA-N

Formula

C4H4N2

SMILES

N#CCCC#N

Molecular Weight¹

80.09

CAS

110-61-2

Other Names

• 1,2-Dicyanoethane
• 1,4-Butanedinitrile
• Deprelin
• Dician
• Dinile
• Disuxyl
• Ethylene cyanide
• Evanex
• NCCH2CH2CN
• NSC 4852
• Succinic acid dinitrile
• Succinic acid nitrile
• Succinic dinitrile
• Succinil
• Succinodinitrile
• Sukcinonitril
• Suxil
• USAF A-9442
• ethane, 1,2-dicyano-
• ethylene dicyanide
• s-Dicyanoethane
• succinonitrile
• sym-Dicyanoethane

• ω : Acentric Factor.
• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,solid : Solid phase heat capacity (J/mol×K).
• EA : Electron affinity (eV).
• 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_fH°_solid : Solid 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_subH° : Enthalpy of sublimation at standard conditions (kJ/mol).
• Δ_subH : Enthalpy of sublimation at a given temperature (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).
• Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
• S°_{solid,1 bar} : Solid phase molar entropy at standard conditions (J/mol×K).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• T_triple : Triple Point Temperature (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.4948		Relay (1.0) Calculated Property
ΔcH°solid	-2285.40 ± 0.59	kJ/mol	NIST
EA	[0.02; 0.11]	eV
EA	0.11 ± 0.01	eV	NIST
EA	0.02 ± 0.00	eV	NIST
ΔfG°	249.16	kJ/mol	Joback Calculated Property
ΔfH°gas	209.70 ± 0.88	kJ/mol	NIST
ΔfH°solid	139.70 ± 0.67	kJ/mol	NIST
ΔfusH°	[3.70; 3.75]	kJ/mol
ΔfusH°	3.75	kJ/mol	Fusion and solid-to-solid transitions of a homologous series of alkane-a,w-dinitriles
ΔfusH°	3.70	kJ/mol	Thermal, solid liquid equilibrium, crystallization, and microstructural studies of organic monotectic alloy: 4,4 -Dibromobiphenyl succinonitrile
ΔsubH°	70.00	kJ/mol	NIST
ΔvapH°	51.94	kJ/mol	Relay (1.0) Calculated Property
IE	12.10 ± 0.25	eV	NIST
log10WS	-0.43		Relay (1.0) Calculated Property
logPoct/wat	0.814		Crippen Calculated Property
McVol	69.980	ml/mol	McGowan Calculated Property
Pc	3664.21	kPa	Joback Calculated Property
S°solid,1 bar	191.59	J/mol×K	NIST
Tboil	539.20	K	NIST
Tc	655.74	K	Relay (1.0) Calculated Property
Tfus	[326.00; 334.00]	K
Tfus	334.00 ± 1.00	K	NIST
Tfus	334.00 ± 1.00	K	NIST
Tfus	330.60 ± 0.50	K	NIST
Tfus	330.62 ± 0.25	K	NIST
Tfus	331.25 ± 0.15	K	NIST
Tfus	326.00 ± 4.00	K	NIST
Tfus	330.05 ± 0.20	K	NIST
Tfus	326.00 ± 3.00	K	NIST
Tfus	330.10 ± 0.60	K	NIST
Tfus	330.32 ± 0.30	K	NIST
Tfus	328.15 ± 1.00	K	NIST
Ttriple	[331.16; 331.23]	K
Ttriple	331.22 ± 0.01	K	NIST
Ttriple	331.23 ± 0.01	K	NIST
Ttriple	331.23 ± 0.00	K	NIST
Ttriple	331.16 ± 0.02	K	NIST
Ttriple	331.16 ± 0.02	K	NIST
Vc	0.286	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[129.29; 155.23]	J/mol×K	[495.08; 709.86]
Cp,gas	129.29	J/mol×K	495.08	Joback Calculated Property
Cp,gas	134.19	J/mol×K	530.88	Joback Calculated Property
Cp,gas	138.85	J/mol×K	566.67	Joback Calculated Property
Cp,gas	143.28	J/mol×K	602.47	Joback Calculated Property
Cp,gas	147.48	J/mol×K	638.26	Joback Calculated Property
Cp,gas	151.46	J/mol×K	674.06	Joback Calculated Property
Cp,gas	155.23	J/mol×K	709.86	Joback Calculated Property
Cp,solid	145.60	J/mol×K	298.15	NIST
εr	[47.11; 56.09]		[333.15; 373.15]
εr	56.09		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
εr	55.46		335.65	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	54.85		338.15	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	54.29		340.65	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	53.68		343.15	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	53.11		345.65	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	52.52		348.15	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	51.95		350.65	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	51.36		353.15	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	50.81		355.65	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	50.28		358.15	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	49.73		360.65	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	49.18		363.15	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	48.66		365.65	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	48.14		368.15	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	47.63		370.65	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	47.11		373.15	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	[3.70; 6.20]	kJ/mol	[177.50; 334.00]
ΔfusH	3.70	kJ/mol	177.50	NIST
ΔfusH	3.70	kJ/mol	177.50	NIST
ΔfusH	6.20	kJ/mol	233.30	NIST
ΔfusH	3.70	kJ/mol	329.70	NIST
ΔfusH	3.75	kJ/mol	330.30	NIST
ΔfusH	3.70	kJ/mol	331.20	NIST
ΔfusH	3.70	kJ/mol	334.00	NIST
ΔsubH	70.00 ± 0.30	kJ/mol	288.50	NIST
ΔfusS	[11.10; 26.57]	J/mol×K	[233.30; 334.00]
ΔfusS	26.57	J/mol×K	233.30	NIST
ΔfusS	11.21	J/mol×K	331.20	NIST
ΔfusS	11.10	J/mol×K	334.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 207.97]	kPa	[408.19; 572.01]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.52708e+01
Coefficient B			-4.82831e+03
Coefficient C			-8.59420e+01
Temperature range, min.			408.19
Temperature range, max.			572.01
Pvap	1.33	kPa	408.19	Calculated Property
Pvap	2.97	kPa	426.39	Calculated Property
Pvap	6.10	kPa	444.59	Calculated Property
Pvap	11.69	kPa	462.80	Calculated Property
Pvap	21.09	kPa	481.00	Calculated Property
Pvap	36.14	kPa	499.20	Calculated Property
Pvap	59.16	kPa	517.40	Calculated Property
Pvap	93.05	kPa	535.61	Calculated Property
Pvap	141.31	kPa	553.81	Calculated Property
Pvap	207.97	kPa	572.01	Calculated Property
Pvap	[1.53e-04; 3321.41]	kPa	[279.15; 770.00]	KDB Vapor Pressure Data
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			4.32550e+01
Coefficient B			-9.16780e+03
Coefficient C			-3.39283e+00
Coefficient D			-1.16457e-06
Temperature range, min.			279.15
Temperature range, max.			770.00
Pvap	1.53e-04	kPa	279.15	Calculated Property
Pvap	0.02	kPa	333.69	Calculated Property
Pvap	0.47	kPa	388.23	Calculated Property
Pvap	5.20	kPa	442.77	Calculated Property
Pvap	31.98	kPa	497.31	Calculated Property
Pvap	129.99	kPa	551.84	Calculated Property
Pvap	390.84	kPa	606.38	Calculated Property
Pvap	937.48	kPa	660.92	Calculated Property
Pvap	1889.64	kPa	715.46	Calculated Property
Pvap	3321.41	kPa	770.00	Calculated Property

Similar Compounds

Find more compounds similar to Butanedinitrile.

Mixtures

• Butanedinitrile + 1,1'-Biphenyl, 4,4'-dibromo-
• Butanedinitrile + Water

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
• Thermal, solid liquid equilibrium, crystallization, and microstructural studies of organic monotectic alloy: 4,4 -Dibromobiphenyl succinonitrile
• Liquid-Liquid Equilibria in Binary Mixtures of Water with Malonitrile, Succinonitrile, and Glutaronitrile
• 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
• The Yaws Handbook of Vapor Pressure

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