Chemical Properties of Tetracyano-p-quinodimethane (CAS 1518-16-7)

InChI

InChI=1S/C12H4N4/c13-5-11(6-14)9-1-2-10(4-3-9)12(7-15)8-16/h1-4H

InChI Key

PCCVSPMFGIFTHU-UHFFFAOYSA-N

Formula

C12H4N4

SMILES

N#CC(C#N)=c1ccc(=C(C#N)C#N)cc1

Molecular Weight¹

204.19

CAS

1518-16-7

Other Names

• Propanedinitrile, 2,2'-(2,5-cyclohexadiene-1,4-diylidene)bis-
• 2,5-Cyclohexadiene-«delta»1,«alpha»:4,«alpha»'-dimalononitrile
• Quinodimethan, tetracyano-
• Tetracyanoquinodimethan(e)
• TCNQ
• 2,5-Cyclohexadiene-1,4-Diylidenedimalononitrile
• 7,7,8,8-Tetracyano-p-quinodimethane
• 7,7,8,8-Tetracyano-1,4-quinodimethan
• 7,7,8,8-Tetracyanoquinodimethane
• 7,7',8,8'-Tetracyanoquinodimethane
• 2,5-Cyclohexadiene-1,4-diylidene-«alpha»,«alpha»'-dimalononitrile
• Tetracyanoquinodimethan
• NSC 105237
• 2,2'-(2,5-cyclohexadiene-1,4-diylidene)bismalononitrile

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• EA : Electron affinity (eV).
• 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_subH° : Enthalpy of sublimation at standard conditions (kJ/mol).
• Δ_subH : Enthalpy of sublimation 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).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°solid	[-5959.00; -5958.90]	kJ/mol
ΔcH°solid	-5958.90 ± 5.70	kJ/mol	NIST
ΔcH°solid	-5959.00 ± 3.00	kJ/mol	NIST
EA	[2.80; 2.88]	eV
EA	2.80 ± 0.30	eV	NIST
EA	2.80 ± 0.10	eV	NIST
EA	2.80 ± 0.10	eV	NIST
EA	2.88 ± 0.19	eV	NIST
ΔfH°gas	[770.00; 771.10]	kJ/mol
ΔfH°gas	771.10	kJ/mol	NIST
ΔfH°gas	770.00 ± 10.00	kJ/mol	NIST
ΔfH°solid	[665.00; 666.10]	kJ/mol
ΔfH°solid	666.10 ± 5.90	kJ/mol	NIST
ΔfH°solid	665.00 ± 3.00	kJ/mol	NIST
ΔsubH°	[105.00; 105.00]	kJ/mol
ΔsubH°	105.00	kJ/mol	NIST
ΔsubH°	105.00	kJ/mol	NIST
log10WS	-2.07		Crippen Calculated Property
logPoct/wat	0.082		Crippen Calculated Property
McVol	157.400	ml/mol	McGowan Calculated Property
Tfus	567.00 ± 2.00	K	NIST

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ΔsubH	[105.00; 126.00]	kJ/mol	[413.00; 502.50]
ΔsubH	126.00 ± 1.00	kJ/mol	413.00	NIST
ΔsubH	122.00 ± 2.00	kJ/mol	423.00	NIST
ΔsubH	105.00 ± 9.20	kJ/mol	465.00	NIST
ΔsubH	105.00 ± 10.00	kJ/mol	466.00	NIST
ΔsubH	108.00 ± 2.00	kJ/mol	502.50	NIST

Similar Compounds

Find more compounds similar to Tetracyano-p-quinodimethane.

Sources

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

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