Chemical Properties of 1,3-Benzenedicarbonitrile, 4-methoxy-2,5,6-trichloro- (CAS 57531-87-0)

InChI

InChI=1S/C9H3Cl3N2O/c1-15-9-5(3-14)6(10)4(2-13)7(11)8(9)12/h1H3

InChI Key

UXQSHXVXPDJKJU-UHFFFAOYSA-N

Formula

C9H3Cl3N2O

SMILES

COc1c(Cl)c(Cl)c(C#N)c(Cl)c1C#N

Molecular Weight¹

261.49

CAS

57531-87-0

Other Names

• 4-Methoxy-2,5,6-trichloro-1,3-benzenedicarbonitrile
• 4-Methoxy-2,5,6-trichloroisophthalonitrile
• 2,4,5-Trichloro-6-methoxy-1,3-dicyanobenzene
• Chlorthalonil, 4-methoxy

• 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	[322.95; 349.36]	J/mol×K	[795.77; 1044.96]
Cp,gas	322.95	J/mol×K	795.77	Joback Calculated Property
Cp,gas	328.79	J/mol×K	837.30	Joback Calculated Property
Cp,gas	334.08	J/mol×K	878.83	Joback Calculated Property
Cp,gas	338.80	J/mol×K	920.36	Joback Calculated Property
Cp,gas	342.93	J/mol×K	961.89	Joback Calculated Property
Cp,gas	346.46	J/mol×K	1003.43	Joback Calculated Property
Cp,gas	349.36	J/mol×K	1044.96	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,3-Benzenedicarbonitrile, 4-methoxy-2,5,6-trichloro-.

Sources

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

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