Chemical Properties of 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

94.11

CAS

544-13-8

Other Names

• 1,3-DICYANOPROPANE
• 1,3-Trimethylenedinitrile
• GLUTARONITRILE
• Glutaric acid dinitrile
• Glutaric dinitrile
• Glutarodinitrile
• TRIMETHYLENE DICYANIDE

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid phase 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_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).
• 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.

Physical Properties

Property	Value	Unit	Source
ΔfG°	257.58	kJ/mol	Joback Calculated Property
ΔfH°gas	183.23	kJ/mol	Joback Calculated Property
ΔfusH°	12.03	kJ/mol	Fusion ...
ΔvapH°	47.68	kJ/mol	Joback Calculated Property
log10WS	-1.65		Crippen Calculated Property
logPoct/wat	1.204		Crippen Calculated Property
McVol	84.070	ml/mol	McGowan Calculated Property
Pc	3272.78	kPa	Joback Calculated Property
S°liquid	239.45	J/mol×K	NIST
Tboil	[559.20; 559.35]	K
Tboil	559.20	K	NIST
Tboil	559.35 ± 3.00	K	NIST
Tc	729.38	K	Joback Calculated Property
Tfus	243.60 ± 0.60	K	NIST
Ttriple	244.21 ± 0.02	K	NIST
Vc	0.367	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[167.81; 201.25]	J/mol×K	[517.96; 729.38]
T(K) Ideal gas heat capacity (J/mol×K) 165 170 175 180 185 190 195 200 550 600 650 700
Cp,gas	167.81	J/mol×K	517.96	Joback Calculated Property
Cp,gas	174.14	J/mol×K	553.20	Joback Calculated Property
Cp,gas	180.15	J/mol×K	588.43	Joback Calculated Property
Cp,gas	185.86	J/mol×K	623.67	Joback Calculated Property
Cp,gas	191.28	J/mol×K	658.91	Joback Calculated Property
Cp,gas	196.41	J/mol×K	694.14	Joback Calculated Property
Cp,gas	201.25	J/mol×K	729.38	Joback Calculated Property
Cp,liquid	186.26	J/mol×K	298.15	NIST
ΔfusH	[12.03; 12.59]	kJ/mol	[242.00; 244.21]
ΔfusH	12.03	kJ/mol	242.00	NIST
ΔfusH	12.59	kJ/mol	244.20	NIST
ΔfusH	12.59	kJ/mol	244.20	NIST
ΔfusH	12.59	kJ/mol	244.21	NIST
ΔvapH	[60.10; 66.80]	kJ/mol	[290.00; 462.00]
ΔvapH	66.80	kJ/mol	290.00	NIST
ΔvapH	60.10	kJ/mol	462.00	NIST
ΔfusS	51.53	J/mol×K	244.21	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.67]	kPa	[416.49; 592.71]	The Yaw...
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
T(K) Vapor pressure (kPa) 0 50 100 150 200 450 500 550
Pvap	1.33	kPa	416.49	Calculated Property
Pvap	2.90	kPa	436.07	Calculated Property
Pvap	5.88	kPa	455.65	Calculated Property
Pvap	11.17	kPa	475.23	Calculated Property
Pvap	20.09	kPa	494.81	Calculated Property
Pvap	34.42	kPa	514.39	Calculated Property
Pvap	56.51	kPa	533.97	Calculated Property
Pvap	89.35	kPa	553.55	Calculated Property
Pvap	136.60	kPa	573.13	Calculated Property
Pvap	202.67	kPa	592.71	Calculated Property
Pvap	[2.35e-06; 3192.63]	kPa	[244.21; 782.00]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^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
T(K) Vapor pressure (kPa) 0 500 1000 1500 2000 2500 3000 3500 400 600
Pvap	2.35e-06	kPa	244.21	Calculated Property
Pvap	1.83e-03	kPa	303.96	Calculated Property
Pvap	0.12	kPa	363.72	Calculated Property
Pvap	2.03	kPa	423.47	Calculated Property
Pvap	15.44	kPa	483.23	Calculated Property
Pvap	71.07	kPa	542.98	Calculated Property
Pvap	236.90	kPa	602.74	Calculated Property
Pvap	638.49	kPa	662.49	Calculated Property
Pvap	1495.04	kPa	722.25	Calculated Property
Pvap	3192.63	kPa	782.00	Calculated Property

Similar Compounds

Find more compounds similar to Pentanedinitrile.

Mixtures

• Pentanedinitrile + Water

Sources

• KDB Vapor Pressure Data
• Crippen Method
• Crippen Method
• Fusion and solid-to-solid transitions of a homologous series of alkane-a,w-dinitriles
• 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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