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]
T(K) Enthalpy of sublimation at a given temperature (kJ/mol) 105 110 115 120 125 450 500
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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.