Chemical Properties of 4-Chlorobenzoylacetonitrile (CAS 4640-66-8)

InChI

InChI=1S/C9H6ClNO/c10-8-3-1-7(2-4-8)9(12)5-6-11/h1-4H,5H2

InChI Key

JYOUFPNYTOFCSJ-UHFFFAOYSA-N

Formula

C9H6ClNO

SMILES

N#CCC(=O)c1ccc(Cl)cc1

Molecular Weight¹

179.60

CAS

4640-66-8

• ω : Acentric Factor.
• 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	[275.38; 320.08]	J/mol×K	[630.36; 870.27]
Cp,gas	275.38	J/mol×K	630.36	Joback Calculated Property
Cp,gas	284.47	J/mol×K	670.34	Joback Calculated Property
Cp,gas	292.85	J/mol×K	710.33	Joback Calculated Property
Cp,gas	300.57	J/mol×K	750.31	Joback Calculated Property
Cp,gas	307.66	J/mol×K	790.30	Joback Calculated Property
Cp,gas	314.15	J/mol×K	830.28	Joback Calculated Property
Cp,gas	320.08	J/mol×K	870.27	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4-Chlorobenzoylacetonitrile.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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