Chemical Properties of Isopropyl-2,4,5-trichloro carbanilate (CAS 52819-37-1)

InChI

InChI=1S/C10H10Cl3NO2/c1-5(2)16-10(15)14-9-4-7(12)6(11)3-8(9)13/h3-5H,1-2H3,(H,14,15)

InChI Key

KBPISZYZLAIVBF-UHFFFAOYSA-N

Formula

C10H10Cl3NO2

SMILES

CC(C)OC(=O)Nc1cc(Cl)c(Cl)cc1Cl

Molecular Weight¹

282.55

CAS

52819-37-1

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion 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).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[240.44; 477.94]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			6.39800e+01
Coefficient B			7.44140e-01
Coefficient C			-3.68680e-04
Coefficient D			3.85000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	240.44	J/mol×K	273.00	Calculated Property
Cp,gas	282.80	J/mol×K	353.78	Calculated Property
Cp,gas	320.89	J/mol×K	434.56	Calculated Property
Cp,gas	354.82	J/mol×K	515.33	Calculated Property
Cp,gas	384.72	J/mol×K	596.11	Calculated Property
Cp,gas	410.70	J/mol×K	676.89	Calculated Property
Cp,gas	432.89	J/mol×K	757.67	Calculated Property
Cp,gas	451.41	J/mol×K	838.44	Calculated Property
Cp,gas	466.39	J/mol×K	919.22	Calculated Property
Cp,gas	477.94	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Isopropyl-2,4,5-trichloro carbanilate.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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