Chemical Properties of 2,2,2'-Trichloro-n-butyl propionanilide (CAS 116402-44-9)

InChI

InChI=1S/C13H16Cl3NO/c1-3-4-9-17(12(18)13(2,15)16)11-8-6-5-7-10(11)14/h5-8H,3-4,9H2,1-2H3

InChI Key

FRYHGFZDEVTUQV-UHFFFAOYSA-N

Formula

C13H16Cl3NO

SMILES

CCCCN(C(=O)C(C)(Cl)Cl)c1ccccc1Cl

Molecular Weight¹

308.63

CAS

116402-44-9

• 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	[539.16; 606.11]	J/mol×K	[703.87; 928.95]
Cp,gas	539.16	J/mol×K	703.87	Joback Calculated Property
Cp,gas	552.64	J/mol×K	741.38	Joback Calculated Property
Cp,gas	565.08	J/mol×K	778.90	Joback Calculated Property
Cp,gas	576.56	J/mol×K	816.41	Joback Calculated Property
Cp,gas	587.16	J/mol×K	853.92	Joback Calculated Property
Cp,gas	596.99	J/mol×K	891.43	Joback Calculated Property
Cp,gas	606.11	J/mol×K	928.95	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2,2,2'-Trichloro-n-butyl propionanilide.

Sources

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

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