Chemical Properties of 3,6-Dichloro-2-methoxybenzoic acid,pentafluorobenzyl ester (CAS 84949-26-8)

InChI

InChI=1S/C15H7Cl2F5O3/c1-24-14-7(17)3-2-6(16)8(14)15(23)25-4-5-9(18)11(20)13(22)12(21)10(5)19/h2-3H,4H2,1H3

InChI Key

GJDVJKOVZTUAOF-UHFFFAOYSA-N

Formula

C15H7Cl2F5O3

SMILES

COc1c(Cl)ccc(Cl)c1C(=O)OCc1c(F)c(F)c(F)c(F)c1F

Molecular Weight¹

401.11

CAS

84949-26-8

Other Names

• Dicamba, PFB
• Dicamba, PFB ester

• 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	[329.12; 610.32]	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			1.42981e+02
Coefficient B			7.49620e-01
Coefficient C			-2.35480e-04
Coefficient D			-4.68000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	329.12	J/mol×K	273.00	Calculated Property
Cp,gas	376.64	J/mol×K	353.78	Calculated Property
Cp,gas	420.42	J/mol×K	434.56	Calculated Property
Cp,gas	460.34	J/mol×K	515.33	Calculated Property
Cp,gas	496.25	J/mol×K	596.11	Calculated Property
Cp,gas	527.98	J/mol×K	676.89	Calculated Property
Cp,gas	555.41	J/mol×K	757.67	Calculated Property
Cp,gas	578.37	J/mol×K	838.44	Calculated Property
Cp,gas	596.72	J/mol×K	919.22	Calculated Property
Cp,gas	610.32	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 3,6-Dichloro-2-methoxybenzoic acid,pentafluorobenzyl ester.

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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