Chemical Properties of 3,4-Dichlorobenzoylacetonitrile (CAS 4640-68-0)

InChI

InChI=1S/C9H5Cl2NO/c10-7-2-1-6(5-8(7)11)9(13)3-4-12/h1-2,5H,3H2

InChI Key

HUEULXLHYYYTTP-UHFFFAOYSA-N

Formula

C9H5Cl2NO

SMILES

N#CCC(=O)c1ccc(Cl)c(Cl)c1

Molecular Weight¹

214.05

CAS

4640-68-0

• 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_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	[293.00; 332.09]	J/mol×K	[672.77; 916.39]
Cp,gas	293.00	J/mol×K	672.77	Joback Calculated Property
Cp,gas	301.02	J/mol×K	713.37	Joback Calculated Property
Cp,gas	308.40	J/mol×K	753.98	Joback Calculated Property
Cp,gas	315.17	J/mol×K	794.58	Joback Calculated Property
Cp,gas	321.35	J/mol×K	835.19	Joback Calculated Property
Cp,gas	326.98	J/mol×K	875.79	Joback Calculated Property
Cp,gas	332.09	J/mol×K	916.39	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3,4-Dichlorobenzoylacetonitrile.

Sources

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

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