Chemical Properties of 2,4,6-Cycloheptatriene-1-carbonitrile (CAS 13612-59-4)

InChI

InChI=1S/C8H7N/c9-7-8-5-3-1-2-4-6-8/h1-6,8H

InChI Key

LADCKIXFXIKHQM-UHFFFAOYSA-N

Formula

C8H7N

SMILES

N#CC1C=CC=CC=C1

Molecular Weight¹

117.15

CAS

13612-59-4

Other Names

• 1,3,5-Cycloheptatriene-7-carbonitrile
• 2,4,6-Cycloheptatrienecarbonitrile
• 7-Cyano-1,3,5-cycloheptatriene
• 7-Cyanocycloheptatriene
• 1-Cyano-2,4,6-cycloheptatriene
• 7-cyanotropilidene

• 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

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[203.17; 264.16]	J/mol×K	[505.82; 745.17]
Cp,gas	203.17	J/mol×K	505.82	Joback Calculated Property
Cp,gas	215.33	J/mol×K	545.71	Joback Calculated Property
Cp,gas	226.66	J/mol×K	585.60	Joback Calculated Property
Cp,gas	237.18	J/mol×K	625.50	Joback Calculated Property
Cp,gas	246.92	J/mol×K	665.39	Joback Calculated Property
Cp,gas	255.91	J/mol×K	705.28	Joback Calculated Property
Cp,gas	264.16	J/mol×K	745.17	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2,4,6-Cycloheptatriene-1-carbonitrile.

Sources

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

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