Pentanedinitrile (CAS 544-13-8)

InChI

InChI=1S/C5H6N2/c6-4-2-1-3-5-7/h1-3H2

InChI Key

ZTOMUSMDRMJOTH-UHFFFAOYSA-N

Formula

C5H6N2

SMILES

N#CCCCC#N

Molecular Weight¹

94.12

CAS

544-13-8

Other Names

1,3-Trimethylenedinitrile
1,3-dicyanopropane
Glutaric dinitrile
Glutarodinitrile
Trimethylene dicyanide
glutaric acid dinitrile
glutaronitrile

ω : Acentric Factor.
C_p,gas : Ideal gas heat capacity (J/mol×K).
C_p,liquid : Liquid phase 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).
Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
S°_liquid : Liquid 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.

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Physical Properties

Property	Value	Unit	Source
ω	0.5153		Relay (1.0) Calculated Property
Δ_fG°	257.58	kJ/mol	Joback Calculated Property
Δ_fH°_gas	172.58	kJ/mol	Relay (1.0) Calculated Property
Δ_fusH°	12.03	kJ/mol	Fusion and solid-to-solid transitions of a homologous series of alkane-a,w-dinitriles
Δ_vapH°	57.49	kJ/mol	Relay (1.0) Calculated Property
IE	11.55	eV	Relay (1.0) Calculated Property
log₁₀WS	-0.93		Relay (1.0) Calculated Property
logP_oct/wat	1.204		Crippen Calculated Property
McVol	84.070	ml/mol	McGowan Calculated Property
P_c	3272.78	kPa	Joback Calculated Property
S°_liquid	239.45	J/mol×K	NIST
T_boil	[559.20; 559.35]	K
T_boil	559.20	K	NIST
T_boil	559.35 ± 3.00	K	NIST
T_c	687.58	K	Relay (1.0) Calculated Property
T_fus	243.60 ± 0.60	K	NIST
T_triple	[244.21; 244.21]	K
T_triple	244.21 ± 0.02	K	NIST
T_triple	244.21 ± 0.02	K	NIST
V_c	0.331	m³/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
C_p,gas	[167.84; 201.29]	J/mol×K	[518.16; 729.66]

C_p,gas	167.84	J/mol×K	518.16	Joback Calculated Property
C_p,gas	174.18	J/mol×K	553.41	Joback Calculated Property
C_p,gas	180.19	J/mol×K	588.66	Joback Calculated Property
C_p,gas	185.90	J/mol×K	623.91	Joback Calculated Property
C_p,gas	191.32	J/mol×K	659.16	Joback Calculated Property
C_p,gas	196.44	J/mol×K	694.41	Joback Calculated Property
C_p,gas	201.29	J/mol×K	729.66	Joback Calculated Property
C_p,liquid	186.26	J/mol×K	298.15	NIST
ε_r	[32.21; 40.78]		[248.15; 323.15]

ε_r	40.78		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
ε_r	40.45		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
ε_r	40.08		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
ε_r	39.78		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
ε_r	39.42		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
ε_r	39.08		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
ε_r	38.74		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
ε_r	38.40		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
ε_r	38.10		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
ε_r	37.78		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
ε_r	37.44		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
ε_r	37.16		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
ε_r	36.83		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
ε_r	36.56		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
ε_r	36.27		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
ε_r	35.97		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
ε_r	35.71		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
ε_r	35.41		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
ε_r	35.14		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
ε_r	34.87		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
ε_r	34.60		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
ε_r	34.33		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
ε_r	34.04		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
ε_r	33.83		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
ε_r	33.59		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
ε_r	33.35		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
ε_r	33.13		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
ε_r	32.87		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
ε_r	32.67		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
ε_r	32.44		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
ε_r	32.21		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
Δ_fusH	[12.03; 12.59]	kJ/mol	[242.00; 244.21]

Δ_fusH	12.03	kJ/mol	242.00	NIST
Δ_fusH	12.59	kJ/mol	244.20	NIST
Δ_fusH	12.59	kJ/mol	244.20	NIST
Δ_fusH	12.59	kJ/mol	244.21	NIST
Δ_fusH	12.59	kJ/mol	244.21	NIST
Δ_vapH	[60.10; 66.80]	kJ/mol	[290.00; 462.00]
Δ_vapH	66.80	kJ/mol	290.00	NIST
Δ_vapH	60.10	kJ/mol	462.00	NIST
Δ_fusS	[51.53; 51.53]	J/mol×K	[244.21; 244.21]
Δ_fusS	51.53	J/mol×K	244.21	NIST
Δ_fusS	51.53	J/mol×K	244.21	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
P_vap	[1.33; 202.67]	kPa	[416.49; 592.71]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.60720e+01
Coefficient B			-5.95750e+03
Coefficient C			-3.90620e+01
Temperature range, min.			416.49
Temperature range, max.			592.71

P_vap	1.33	kPa	416.49	Calculated Property
P_vap	2.90	kPa	436.07	Calculated Property
P_vap	5.88	kPa	455.65	Calculated Property
P_vap	11.17	kPa	475.23	Calculated Property
P_vap	20.09	kPa	494.81	Calculated Property
P_vap	34.42	kPa	514.39	Calculated Property
P_vap	56.51	kPa	533.97	Calculated Property
P_vap	89.35	kPa	553.55	Calculated Property
P_vap	136.60	kPa	573.13	Calculated Property
P_vap	202.67	kPa	592.71	Calculated Property
P_vap	[2.35e-06; 3192.63]	kPa	[244.21; 782.00]	KDB Vapor Pressure Data
Equation			ln(Pvp) = A + B/T + Cln(T) + DT^2
Coefficient A			9.90371e+01
Coefficient B			-1.13046e+04
Coefficient C			-1.20138e+01
Coefficient D			5.75911e-06
Temperature range, min.			244.21
Temperature range, max.			782.00

P_vap	2.35e-06	kPa	244.21	Calculated Property
P_vap	1.83e-03	kPa	303.96	Calculated Property
P_vap	0.12	kPa	363.72	Calculated Property
P_vap	2.03	kPa	423.47	Calculated Property
P_vap	15.44	kPa	483.23	Calculated Property
P_vap	71.07	kPa	542.98	Calculated Property
P_vap	236.90	kPa	602.74	Calculated Property
P_vap	638.49	kPa	662.49	Calculated Property
P_vap	1495.04	kPa	722.25	Calculated Property
P_vap	3192.63	kPa	782.00	Calculated Property

Similar Compounds

Find more compounds similar to Pentanedinitrile.

Mixtures

Pentanedinitrile + Water

Sources

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