Chemical Properties of Benzene, 1-dimethylamino-4-(2,2-dicyanoethenyl) (CAS 2826-28-0)

InChI

InChI=1S/C12H11N3/c1-15(2)12-5-3-10(4-6-12)7-11(8-13)9-14/h3-7H,1-2H3

InChI Key

IYNONQVNLZATDK-UHFFFAOYSA-N

Formula

C12H11N3

SMILES

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

Molecular Weight¹

197.24

CAS

2826-28-0

Other Names

• p-N,N-Dimethylaminobenzal malononitrile
• (4-Dimethylaminobenzyliden)-malodinitril
• (4-Dimethylaminobenzylidene)malodinitrile

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	25.41	kJ/mol	Joback Calculated Property
IE	[7.60; 7.80]	eV
IE	7.60	eV	NIST
IE	7.80	eV	NIST
logPoct/wat	2.183		Crippen Calculated Property
McVol	164.620	ml/mol	McGowan Calculated Property
Tboil	589.81	K	Relay (1.0) Calculated Property
Tfus	373.95	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[415.83; 470.53]	J/mol×K	[726.46; 964.50]
Cp,gas	415.83	J/mol×K	726.46	Joback Calculated Property
Cp,gas	426.70	J/mol×K	766.13	Joback Calculated Property
Cp,gas	436.77	J/mol×K	805.81	Joback Calculated Property
Cp,gas	446.11	J/mol×K	845.48	Joback Calculated Property
Cp,gas	454.80	J/mol×K	885.15	Joback Calculated Property
Cp,gas	462.91	J/mol×K	924.82	Joback Calculated Property
Cp,gas	470.53	J/mol×K	964.50	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzene, 1-dimethylamino-4-(2,2-dicyanoethenyl).

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback 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.
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