Chemical Properties of Tetracyanoethylene (CAS 670-54-2)

InChI

InChI=1S/C6N4/c7-1-5(2-8)6(3-9)4-10

InChI Key

NLDYACGHTUPAQU-UHFFFAOYSA-N

Formula

C6N4

SMILES

N#CC(C#N)=C(C#N)C#N

Molecular Weight¹

128.09

CAS

670-54-2

Other Names

• Ethenetetracarbonitrile
• «delta»2,2'-Bimalononitrile
• Ethene, tetracyano-
• Ethylenetetracarbonitrile
• Tetracyanoethene
• TCNE
• (NC)2CC(CN)2
• Tetrakyanethylen
• 1,1,2,2-Tetracyanoethene
• 1,1,2,2-Tetracyanoethylene
• Ethylene, tetracyano-
• 1,1,2,2-Ethenetetracarbonitrile
• NSC 24833

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• 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_fH°_solid : Solid phase 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_subH° : Enthalpy of sublimation at standard conditions (kJ/mol).
• Δ_subH : Enthalpy of sublimation 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).
• 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
ΔcH°solid	[-3033.30; -2985.00]	kJ/mol
ΔcH°solid	-2996.00 ± 2.00	kJ/mol	NIST
ΔcH°solid	-3033.30	kJ/mol	NIST
ΔcH°solid	-2985.00 ± 2.00	kJ/mol	NIST
EA	[1.70; 3.17]	eV
EA	3.16 ± 0.02	eV	NIST
EA	3.17 ± 0.20	eV	NIST
EA	2.30 ± 0.30	eV	NIST
EA	1.70 ± 0.30	eV	NIST
EA	2.03 ± 0.05	eV	NIST
EA	2.88 ± 0.06	eV	NIST
ΔfG°	595.48	kJ/mol	Joback Calculated Property
ΔfH°gas	[688.10; 714.00]	kJ/mol
ΔfH°gas	688.10	kJ/mol	NIST
ΔfH°gas	714.00	kJ/mol	NIST
ΔfH°gas	705.00 ± 6.30	kJ/mol	NIST
ΔfH°solid	[607.10; 633.00]	kJ/mol
ΔfH°solid	607.10	kJ/mol	NIST
ΔfH°solid	633.00 ± 2.00	kJ/mol	NIST
ΔfH°solid	624.00 ± 2.00	kJ/mol	NIST
ΔfusH°	14.90	kJ/mol	Joback Calculated Property
ΔsubH°	[81.00; 81.20]	kJ/mol
ΔsubH°	81.20	kJ/mol	NIST
ΔsubH°	81.00	kJ/mol	NIST
ΔvapH°	70.98	kJ/mol	Joback Calculated Property
IE	[11.67; 11.79]	eV
IE	11.77 ± 0.01	eV	NIST
IE	11.67 ± 0.02	eV	NIST
IE	11.79 ± 0.05	eV	NIST
log10WS	-1.65		Crippen Calculated Property
logPoct/wat	0.377		Crippen Calculated Property
McVol	96.620	ml/mol	McGowan Calculated Property
Pc	2979.54	kPa	Joback Calculated Property
Tboil	496.20	K	NIST
Tc	1000.10	K	Joback Calculated Property
Tfus	472.00 ± 0.20	K	NIST
Vc	0.458	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[187.48; 203.68]	J/mol×K	[748.92; 1000.10]
Cp,gas	187.48	J/mol×K	748.92	Joback Calculated Property
Cp,gas	190.61	J/mol×K	790.78	Joback Calculated Property
Cp,gas	193.51	J/mol×K	832.65	Joback Calculated Property
Cp,gas	196.23	J/mol×K	874.51	Joback Calculated Property
Cp,gas	198.81	J/mol×K	916.38	Joback Calculated Property
Cp,gas	201.28	J/mol×K	958.24	Joback Calculated Property
Cp,gas	203.68	J/mol×K	1000.10	Joback Calculated Property
ΔfusH	[24.92; 24.92]	kJ/mol	[472.20; 472.20]
ΔfusH	24.92	kJ/mol	472.20	NIST
ΔfusH	24.92	kJ/mol	472.20	NIST
ΔsubH	[81.20; 84.30]	kJ/mol	[301.00; 352.00]
ΔsubH	84.30	kJ/mol	301.00	NIST
ΔsubH	81.20 ± 5.90	kJ/mol	350.00	NIST
ΔsubH	81.40	kJ/mol	352.00	NIST

Similar Compounds

Find more compounds similar to Tetracyanoethylene.

Sources

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

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