Chemical Properties of Propanedinitrile, (phenylmethylene)-

InChI

InChI=1S/C10H6N2/c11-7-10(8-12)6-9-4-2-1-3-5-9/h1-6H

InChI Key

WAVNYPVYNSIHNC-UHFFFAOYSA-N

Formula

C10H6N2

SMILES

N#CC(C#N)=Cc1ccccc1

Molecular Weight¹

154.17

Other Names

• Malononitrile, benzylidene-
• «alpha»-Cyanocinnamonitrile
• «beta»,«beta»-Dicyanostyrene
• Benzalmalononitrile
• Benzylidenemalonodinitrile
• Benzylidenemalononitrile
• 2-Phenyl-1,1-dicyanoethylene
• 2,2-Dicyano-1-phenylethylene
• Benzalmalonitrile
• BMN
• Benzal-malonitril
• F 2370
• 1,1-Dicyano-2-phenylethene
• 1,1-Dicyano-2-phenylethylene
• 2-Cyano-3-phenylacrylonitrile
• 2-Phenyl-1,1-dicyanoethene
• Malonodinitrile, benzylidene
• Benzylidenemalonitrile
• NSC 490
• Propanedinitrile, 2-(phenylmethylene)-
• «beta»,«beta»-Styrenedicarbonitrile
• beta,beta-styrenedicarbonitrile

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• 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
ΔfH°gas	494.85	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	17.60	kJ/mol	Joback Calculated Property
ΔvapH°	59.93	kJ/mol	Relay (1.0) Calculated Property
IE	9.39	eV	Relay (1.0) Calculated Property
logPoct/wat	2.117		Crippen Calculated Property
McVol	126.460	ml/mol	McGowan Calculated Property
Inp	[1473.00; 1487.00]
Inp	1487.00		NIST
Inp	1473.00		NIST
Inp	1473.00		NIST
Tboil	528.34	K	Relay (1.0) Calculated Property
Tfus	298.22	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[149.27; 338.82]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-1.99800e+01
Coefficient B			7.64400e-01
Coefficient C			-5.75500e-04
Coefficient D			1.69900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	149.27	J/mol×K	273.00	Calculated Property
Cp,gas	185.94	J/mol×K	353.78	Calculated Property
Cp,gas	217.46	J/mol×K	434.56	Calculated Property
Cp,gas	244.36	J/mol×K	515.33	Calculated Property
Cp,gas	267.17	J/mol×K	596.11	Calculated Property
Cp,gas	286.44	J/mol×K	676.89	Calculated Property
Cp,gas	302.71	J/mol×K	757.67	Calculated Property
Cp,gas	316.50	J/mol×K	838.44	Calculated Property
Cp,gas	328.36	J/mol×K	919.22	Calculated Property
Cp,gas	338.82	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Propanedinitrile, (phenylmethylene)-.

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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