Chemical Properties of 2,5-Dichloro-3,4,6-tris[(2,2-dichloropropanoyl)oxy]phenyl 2,2-dichloropropanoate

InChI

InChI=1S/C18H12Cl10O8/c1-15(21,22)11(29)33-7-5(19)9(35-13(31)17(3,25)26)10(36-14(32)18(4,27)28)6(20)8(7)34-12(30)16(2,23)24/h1-4H3

InChI Key

CRHLVVMKMXLUHL-UHFFFAOYSA-N

Formula

C18H12Cl10O8

SMILES

CC(Cl)(Cl)C(=O)Oc1c(Cl)c(OC(=O)C(C)(Cl)Cl)c(OC(=O)C(C)(Cl)Cl)c(Cl)c1OC(=O)C(C)(Cl)Cl

Molecular Weight¹

710.82

• 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	[536.38; 935.25]	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			1.56770e+02
Coefficient B			1.68948e+00
Coefficient C			-1.16420e-03
Coefficient D			2.53200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	536.38	J/mol×K	273.00	Calculated Property
Cp,gas	619.97	J/mol×K	353.78	Calculated Property
Cp,gas	691.87	J/mol×K	434.56	Calculated Property
Cp,gas	752.89	J/mol×K	515.33	Calculated Property
Cp,gas	803.83	J/mol×K	596.11	Calculated Property
Cp,gas	845.48	J/mol×K	676.89	Calculated Property
Cp,gas	878.64	J/mol×K	757.67	Calculated Property
Cp,gas	904.13	J/mol×K	838.44	Calculated Property
Cp,gas	922.73	J/mol×K	919.22	Calculated Property
Cp,gas	935.25	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0000074; 0.0000018]	Pa×s	[859.84; 1077.83]	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			-1.88156e+01
Coefficient B			6.01668e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			859.84
Temperature range, max.			1077.83
η	0.0000074	Pa×s	859.84	Calculated Property
η	0.0000061	Pa×s	884.06	Calculated Property
η	0.0000051	Pa×s	908.28	Calculated Property
η	0.0000043	Pa×s	932.50	Calculated Property
η	0.0000036	Pa×s	956.72	Calculated Property
η	0.0000031	Pa×s	980.94	Calculated Property
η	0.0000027	Pa×s	1005.16	Calculated Property
η	0.0000023	Pa×s	1029.39	Calculated Property
η	0.0000020	Pa×s	1053.61	Calculated Property
η	0.0000018	Pa×s	1077.83	Calculated Property

Similar Compounds

Find more compounds similar to 2,5-Dichloro-3,4,6-tris[(2,2-dichloropropanoyl)oxy]phenyl 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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