Chemical Properties of Diclofop methyl (CAS 51338-27-3)

InChI

InChI=1S/C16H14Cl2O4/c1-10(16(19)20-2)21-12-4-6-13(7-5-12)22-15-8-3-11(17)9-14(15)18/h3-10H,1-2H3

InChI Key

BACHBFVBHLGWSL-UHFFFAOYSA-N

Formula

C16H14Cl2O3

SMILES

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

Molecular Weight¹

325.19

CAS

51338-27-3

Other Names

• (.+/-.)-Diclofop-methyl
• 2-(4-(2,4-Dichlorophenoxy)phenoxy)-methyl-propionate
• 2-(4-(2,4-Dichlorophenoxy)phenoxy)propanoic acid methyl ester
• Dichlorfop-methyl
• Dicloflop-methyl
• Diclofop, methyl ester
• HOE 23408
• Hoegrass
• Hoelon
• Hoelon 3EC
• Illoxan
• Iloxan
• Methyl 2-(4-(2,4-dichlorophenoxy)phenoxy)propionate
• Methyl diclofop
• Propanoic acid, 2-[4-(2,4-dichlorophenoxy)phenoxy]-, methyl ester
• Propionic acid, 2-(4-(2,4-dichlorophenoxy)phenoxy)-, methyl ester
• diclofop-methyl

• 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).
• Δ_fusH : Enthalpy of fusion at a given temperature (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).
• I_np : Non-polar retention indices.
• 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

Property	Value	Unit	Source
ΔfusH°	34.14	kJ/mol	Joback Calculated Property
IE	7.92	eV	Relay (1.0) Calculated Property
log10WS	-3.82		Aq. Solubility Prediction
logPoct/wat	4.726		Crippen Calculated Property
McVol	232.440	ml/mol	McGowan Calculated Property
Inp	[2339.00; 2395.00]
Inp	2339.00		NIST
Inp	2339.00		NIST
Inp	2395.00		NIST
Inp	2395.00		NIST
Tboil	630.96	K	Relay (1.0) Calculated Property
Tfus	315.26 ± 0.20	K	NIST

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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[616.47; 671.04]	J/mol×K	[829.33; 1067.40]
Cp,gas	616.47	J/mol×K	829.33	Joback Calculated Property
Cp,gas	628.73	J/mol×K	869.01	Joback Calculated Property
Cp,gas	639.72	J/mol×K	908.69	Joback Calculated Property
Cp,gas	649.44	J/mol×K	948.36	Joback Calculated Property
Cp,gas	657.91	J/mol×K	988.04	Joback Calculated Property
Cp,gas	665.11	J/mol×K	1027.72	Joback Calculated Property
Cp,gas	671.04	J/mol×K	1067.40	Joback Calculated Property
η	[0.0000540; 0.0003732]	Pa×s	[521.94; 829.33]
η	0.0003732	Pa×s	521.94	Joback Calculated Property
η	0.0002341	Pa×s	573.17	Joback Calculated Property
η	0.0001585	Pa×s	624.40	Joback Calculated Property
η	0.0001139	Pa×s	675.63	Joback Calculated Property
η	0.0000857	Pa×s	726.87	Joback Calculated Property
η	0.0000670	Pa×s	778.10	Joback Calculated Property
η	0.0000540	Pa×s	829.33	Joback Calculated Property
ΔfusH	27.08	kJ/mol	314.40	NIST

Similar Compounds

Find more compounds similar to Diclofop methyl.

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
• Joback Method
• Aqueous Solubility Prediction 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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