Chemical Properties of 3,5-Dichloro-2-[(2,2-dichloropropanoyl)oxy]benzyl 2,2-dichloropropanoate

InChI

InChI=1S/C13H10Cl6O4/c1-12(16,17)10(20)22-5-6-3-7(14)4-8(15)9(6)23-11(21)13(2,18)19/h3-4H,5H2,1-2H3

InChI Key

OTQBBVDDVNXYOT-UHFFFAOYSA-N

Formula

C13H10Cl6O4

SMILES

CC(Cl)(Cl)C(=O)OCc1cc(Cl)cc(Cl)c1OC(=O)C(C)(Cl)Cl

Molecular Weight¹

442.94

• 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	[341.84; 631.14]	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			7.92810e+01
Coefficient B			1.16424e+00
Coefficient C			-7.90280e-04
Coefficient D			1.77900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	341.84	J/mol×K	273.00	Calculated Property
Cp,gas	400.13	J/mol×K	353.78	Calculated Property
Cp,gas	450.57	J/mol×K	434.56	Calculated Property
Cp,gas	493.73	J/mol×K	515.33	Calculated Property
Cp,gas	530.16	J/mol×K	596.11	Calculated Property
Cp,gas	560.43	J/mol×K	676.89	Calculated Property
Cp,gas	585.10	J/mol×K	757.67	Calculated Property
Cp,gas	604.73	J/mol×K	838.44	Calculated Property
Cp,gas	619.89	J/mol×K	919.22	Calculated Property
Cp,gas	631.14	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0002748; 0.0000467]	Pa×s	[569.27; 782.65]	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			-1.47036e+01
Coefficient B			3.70260e+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.			569.27
Temperature range, max.			782.65
η	0.0002748	Pa×s	569.27	Calculated Property
η	0.0002119	Pa×s	592.98	Calculated Property
η	0.0001667	Pa×s	616.69	Calculated Property
η	0.0001334	Pa×s	640.40	Calculated Property
η	0.0001086	Pa×s	664.10	Calculated Property
η	0.0000896	Pa×s	687.81	Calculated Property
η	0.0000749	Pa×s	711.52	Calculated Property
η	0.0000633	Pa×s	735.23	Calculated Property
η	0.0000541	Pa×s	758.94	Calculated Property
η	0.0000467	Pa×s	782.65	Calculated Property

Similar Compounds

Find more compounds similar to 3,5-Dichloro-2-[(2,2-dichloropropanoyl)oxy]benzyl 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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