Chemical Properties of 2-(3,4-Dichlorophenoxy)-1-methylethyl 2,2-dichloropropanoate (CAS 116402-60-9)

InChI

InChI=1S/C12H12Cl4O3/c1-7(19-11(17)12(2,15)16)6-18-8-3-4-9(13)10(14)5-8/h3-5,7H,6H2,1-2H3

InChI Key

KGLPCYVCDGKBJA-UHFFFAOYSA-N

Formula

C12H12Cl4O3

SMILES

CC(COc1ccc(Cl)c(Cl)c1)OC(=O)C(C)(Cl)Cl

Molecular Weight¹

346.03

CAS

116402-60-9

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, 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, Log10 of Water solubility in mol/l 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	[291.48; 575.51]	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			6.29910e+01
Coefficient B			9.86840e-01
Coefficient C			-5.77120e-04
Coefficient D			1.02800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	291.48	J/mol×K	273.00	Calculated Property
Cp,gas	344.43	J/mol×K	353.78	Calculated Property
Cp,gas	391.28	J/mol×K	434.56	Calculated Property
Cp,gas	432.35	J/mol×K	515.33	Calculated Property
Cp,gas	467.95	J/mol×K	596.11	Calculated Property
Cp,gas	498.43	J/mol×K	676.89	Calculated Property
Cp,gas	524.10	J/mol×K	757.67	Calculated Property
Cp,gas	545.28	J/mol×K	838.44	Calculated Property
Cp,gas	562.31	J/mol×K	919.22	Calculated Property
Cp,gas	575.51	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0008056; 0.0000929]	Pa×s	[448.12; 679.08]	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			-1.34765e+01
Coefficient B			2.84671e+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.			448.12
Temperature range, max.			679.08
η	0.0008056	Pa×s	448.12	Calculated Property
η	0.0005711	Pa×s	473.78	Calculated Property
η	0.0004194	Pa×s	499.44	Calculated Property
η	0.0003174	Pa×s	525.11	Calculated Property
η	0.0002466	Pa×s	550.77	Calculated Property
η	0.0001959	Pa×s	576.43	Calculated Property
η	0.0001587	Pa×s	602.09	Calculated Property
η	0.0001308	Pa×s	627.76	Calculated Property
η	0.0001095	Pa×s	653.42	Calculated Property
η	0.0000929	Pa×s	679.08	Calculated Property

Similar Compounds

Find more compounds similar to 2-(3,4-Dichlorophenoxy)-1-methylethyl 2,2-dichloropropanoate.

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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