Chemical Properties of Bicyclo[2.2.1]hexa-2,5-diene, 2,3-dicarbonitrile- (CAS 825-24-1)

InChI

InChI=1S/C9H6N2/c10-4-8-6-1-2-7(3-6)9(8)5-11/h1-2,6-7H,3H2

InChI Key

XKDBHCJBKRLHRJ-UHFFFAOYSA-N

Formula

C9H6N2

SMILES

N#CC1=C(C#N)C2C=CC1C2

Molecular Weight¹

142.16

CAS

825-24-1

Other Names

• 2,3-Dicyanobicyclo[2.2.1]hepta-2,5-diene
• Norbornadiene-2,3-dicarbonitrile

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• 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
ΔfG°	441.32	kJ/mol	Joback Calculated Property
ΔfH°gas	332.73	kJ/mol	Joback Calculated Property
ΔfusH°	17.91	kJ/mol	Joback Calculated Property
ΔvapH°	58.49	kJ/mol	Joback Calculated Property
IE	[9.30; 9.60]	eV
IE	9.30	eV	NIST
IE	9.30	eV	NIST
IE	9.60	eV	NIST
IE	9.60	eV	NIST
log10WS	-2.34		Crippen Calculated Property
logPoct/wat	1.536		Crippen Calculated Property
McVol	110.110	ml/mol	McGowan Calculated Property
Pc	3069.34	kPa	Joback Calculated Property
Tboil	635.51	K	Joback Calculated Property
Tc	877.23	K	Joback Calculated Property
Tfus	380.09	K	Joback Calculated Property
Vc	0.469	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[265.33; 310.91]	J/mol×K	[635.51; 877.23]
Cp,gas	265.33	J/mol×K	635.51	Joback Calculated Property
Cp,gas	274.36	J/mol×K	675.80	Joback Calculated Property
Cp,gas	282.72	J/mol×K	716.08	Joback Calculated Property
Cp,gas	290.46	J/mol×K	756.37	Joback Calculated Property
Cp,gas	297.69	J/mol×K	796.66	Joback Calculated Property
Cp,gas	304.48	J/mol×K	836.94	Joback Calculated Property
Cp,gas	310.91	J/mol×K	877.23	Joback Calculated Property

Similar Compounds

Find more compounds similar to Bicyclo[2.2.1]hexa-2,5-diene, 2,3-dicarbonitrile-.

Sources

• 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.