Chemical Properties of 1-Benzocyclobutenecarbonitrile (CAS 6809-91-2)

InChI

InChI=1S/C9H7N/c10-6-8-5-7-3-1-2-4-9(7)8/h1-4,8H,5H2

InChI Key

FJIDKRPZJBUHME-UHFFFAOYSA-N

Formula

C9H7N

SMILES

N#CC1Cc2ccccc21

Molecular Weight¹

129.16

CAS

6809-91-2

• 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).
• 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_boilr : Boiling point at reduced pressure (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	[228.37; 282.31]	J/mol×K	[541.53; 779.41]
Cp,gas	228.37	J/mol×K	541.53	Joback Calculated Property
Cp,gas	239.31	J/mol×K	581.18	Joback Calculated Property
Cp,gas	249.36	J/mol×K	620.82	Joback Calculated Property
Cp,gas	258.61	J/mol×K	660.47	Joback Calculated Property
Cp,gas	267.12	J/mol×K	700.12	Joback Calculated Property
Cp,gas	275.00	J/mol×K	739.76	Joback Calculated Property
Cp,gas	282.31	J/mol×K	779.41	Joback Calculated Property

Pressure Dependent Properties

Similar Compounds

Find more compounds similar to 1-Benzocyclobutenecarbonitrile.

Sources

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

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