Chemical Properties of 1,2-Cyclobutanedicarbonitrile, trans- (CAS 3211-20-9)

InChI

InChI=1S/C6H6N2/c7-3-5-1-2-6(5)4-8/h5-6H,1-2H2/t5-,6-/m1/s1

InChI Key

CZPLUOCTUPJSIZ-PHDIDXHHSA-N

Formula

C6H6N2

SMILES

N#CC1CCC1C#N

Molecular Weight¹

106.13

CAS

3211-20-9

Other Names

• 1,2-Cyclobutanedicarbonitrile, (E)-
• USAF st-1
• trans-1,2-Cyclobutanedicarbonitrile
• trans-1,2-Dicyanocyclobutane

• 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).
• 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

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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[194.56; 241.10]	J/mol×K	[547.38; 779.80]
Cp,gas	194.56	J/mol×K	547.38	Joback Calculated Property
Cp,gas	203.73	J/mol×K	586.12	Joback Calculated Property
Cp,gas	212.30	J/mol×K	624.85	Joback Calculated Property
Cp,gas	220.29	J/mol×K	663.59	Joback Calculated Property
Cp,gas	227.73	J/mol×K	702.32	Joback Calculated Property
Cp,gas	234.66	J/mol×K	741.06	Joback Calculated Property
Cp,gas	241.10	J/mol×K	779.80	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Cyclobutanedicarbonitrile, trans-.

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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