Chemical Properties of 9,10-Anthracenedicarbonitrile (CAS 1217-45-4)

InChI

InChI=1S/C16H8N2/c17-9-15-11-5-1-2-6-12(11)16(10-18)14-8-4-3-7-13(14)15/h1-8H

InChI Key

BIOPPFDHKHWJIA-UHFFFAOYSA-N

Formula

C16H8N2

SMILES

N#Cc1c2ccccc2c(C#N)c2ccccc12

Molecular Weight¹

228.25

CAS

1217-45-4

Other Names

• 9,10-Dicyanoanthracene
• 9,10-Dicyanoanthracen

• ω : Acentric Factor.
• 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_fusH° : Enthalpy of fusion at standard conditions (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).
• 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
ω	0.6156		Relay (1.0) Calculated Property
ΔfG°	647.02	kJ/mol	Joback Calculated Property
ΔfH°gas	462.42	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	27.12	kJ/mol	Joback Calculated Property
ΔvapH°	102.95	kJ/mol	Relay (1.0) Calculated Property
IE	8.43	eV	Relay (1.0) Calculated Property
log10WS	-6.00		Relay (1.0) Calculated Property
logPoct/wat	3.736		Crippen Calculated Property
McVol	176.380	ml/mol	McGowan Calculated Property
Pc	2431.44	kPa	Joback Calculated Property
Inp	[2288.00; 2288.00]
Inp	2288.00		NIST
Inp	2288.00		NIST
Inp	2288.00		NIST
Tboil	691.99	K	Relay (1.0) Calculated Property
Tc	1015.75	K	Relay (1.0) Calculated Property
Tfus	510.29	K	Relay (1.0) Calculated Property
Vc	0.642	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[216.06; 488.53]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-3.15500e+01
Coefficient B			1.12860e+00
Coefficient C			-8.88120e-04
Coefficient D			2.79600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	216.06	J/mol×K	273.00	Calculated Property
Cp,gas	268.95	J/mol×K	353.78	Calculated Property
Cp,gas	314.12	J/mol×K	434.56	Calculated Property
Cp,gas	352.46	J/mol×K	515.33	Calculated Property
Cp,gas	384.86	J/mol×K	596.11	Calculated Property
Cp,gas	412.18	J/mol×K	676.89	Calculated Property
Cp,gas	435.33	J/mol×K	757.67	Calculated Property
Cp,gas	455.18	J/mol×K	838.44	Calculated Property
Cp,gas	472.62	J/mol×K	919.22	Calculated Property
Cp,gas	488.53	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 9,10-Anthracenedicarbonitrile.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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