Chemical Properties of Diclofop (CAS 40843-25-2)

InChI

InChI=1S/C15H12Cl2O4/c1-9(15(18)19)20-11-3-5-12(6-4-11)21-14-7-2-10(16)8-13(14)17/h2-9H,1H3,(H,18,19)

InChI Key

OOLBCHYXZDXLDS-UHFFFAOYSA-N

Formula

C15H12Cl2O4

SMILES

CC(Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)C(=O)O

Molecular Weight¹

327.16

CAS

40843-25-2

Other Names

• Propanoic acid, 2-[4-(2,4-dichlorophenoxy)phenoxy]-
• *

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate 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 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	[287.75; 611.88]	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			4.40400e+01
Coefficient B			1.03642e+00
Coefficient C			-5.48080e-04
Coefficient D			7.95000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	287.75	J/mol×K	273.00	Calculated Property
Cp,gas	345.63	J/mol×K	353.78	Calculated Property
Cp,gas	397.45	J/mol×K	434.56	Calculated Property
Cp,gas	443.47	J/mol×K	515.33	Calculated Property
Cp,gas	483.94	J/mol×K	596.11	Calculated Property
Cp,gas	519.12	J/mol×K	676.89	Calculated Property
Cp,gas	549.25	J/mol×K	757.67	Calculated Property
Cp,gas	574.59	J/mol×K	838.44	Calculated Property
Cp,gas	595.38	J/mol×K	919.22	Calculated Property
Cp,gas	611.88	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0002695; 0.0000813]	Pa×s	[599.11; 785.10]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.32755e+01
Coefficient B			3.02948e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			599.11
Temperature range, max.			785.10
η	0.0002695	Pa×s	599.11	Calculated Property
η	0.0002277	Pa×s	619.78	Calculated Property
η	0.0001945	Pa×s	640.44	Calculated Property
η	0.0001677	Pa×s	661.11	Calculated Property
η	0.0001460	Pa×s	681.77	Calculated Property
η	0.0001281	Pa×s	702.44	Calculated Property
η	0.0001132	Pa×s	723.10	Calculated Property
η	0.0001008	Pa×s	743.77	Calculated Property
η	0.0000903	Pa×s	764.43	Calculated Property
η	0.0000813	Pa×s	785.10	Calculated Property

Similar Compounds

Find more compounds similar to Diclofop.

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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