Chemical Properties of 9-Anthracenecarbonitrile (CAS 1210-12-4)

InChI

InChI=1S/C15H9N/c16-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)15/h1-9H

InChI Key

KEQZHLAEKAVZLY-UHFFFAOYSA-N

Formula

C15H9N

SMILES

N#Cc1c2ccccc2cc2ccccc12

Molecular Weight¹

203.24

CAS

1210-12-4

Other Names

• 9-Anthronitrile
• 9-Cyanoanthracene
• Anthracene-9-carbonitrile

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• EA : Electron affinity (eV).
• 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).
• 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
EA	1.27 ± 0.10	eV	NIST
ΔfG°	515.05	kJ/mol	Joback Calculated Property
ΔfH°gas	407.68	kJ/mol	Joback Calculated Property
ΔfusH°	23.41	kJ/mol	Joback Calculated Property
ΔvapH°	66.34	kJ/mol	Joback Calculated Property
IE	[7.80; 7.80]	eV
IE	7.80	eV	NIST
IE	7.80 ± 0.03	eV	NIST
log10WS	-5.43		Crippen Calculated Property
logPoct/wat	3.865		Crippen Calculated Property
McVol	160.910	ml/mol	McGowan Calculated Property
Pc	2793.56	kPa	Joback Calculated Property
Inp	[350.70; 357.10]
Inp	350.70		NIST
Inp	357.10		NIST
Tboil	719.28	K	Joback Calculated Property
Tc	979.82	K	Joback Calculated Property
Tfus	440.66	K	Joback Calculated Property
Vc	0.637	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[400.37; 459.62]	J/mol×K	[719.28; 979.82]
Cp,gas	400.37	J/mol×K	719.28	Joback Calculated Property
Cp,gas	412.09	J/mol×K	762.70	Joback Calculated Property
Cp,gas	422.88	J/mol×K	806.13	Joback Calculated Property
Cp,gas	432.88	J/mol×K	849.55	Joback Calculated Property
Cp,gas	442.24	J/mol×K	892.97	Joback Calculated Property
Cp,gas	451.10	J/mol×K	936.40	Joback Calculated Property
Cp,gas	459.62	J/mol×K	979.82	Joback Calculated Property
ΔfusH	25.19	kJ/mol	445.20	NIST

Similar Compounds

Find more compounds similar to 9-Anthracenecarbonitrile.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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