Chemical Properties of 3-[(2,2-Dichloropropanoyl)oxy]-2,2-bis([(2,2-dichloropropanoyl)oxy]methyl)propyl 2,2-dichloropropanoate (CAS 116295-67-1)

InChI

InChI=1S/C17H20Cl8O8/c1-13(18,19)9(26)30-5-17(6-31-10(27)14(2,20)21,7-32-11(28)15(3,22)23)8-33-12(29)16(4,24)25/h5-8H2,1-4H3

InChI Key

WOKUVVRQHHYMGQ-UHFFFAOYSA-N

Formula

C17H20Cl8O8

SMILES

CC(Cl)(Cl)C(=O)OCC(COC(=O)C(C)(Cl)Cl)(COC(=O)C(C)(Cl)Cl)COC(=O)C(C)(Cl)Cl

Molecular Weight¹

635.96

CAS

116295-67-1

• 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_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• 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, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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	[531.40; 1002.31]	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			6.98340e+01
Coefficient B			2.08308e+00
Coefficient C			-1.54480e-03
Coefficient D			3.94200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	531.40	J/mol×K	273.00	Calculated Property
Cp,gas	630.89	J/mol×K	353.78	Calculated Property
Cp,gas	715.68	J/mol×K	434.56	Calculated Property
Cp,gas	787.01	J/mol×K	515.33	Calculated Property
Cp,gas	846.14	J/mol×K	596.11	Calculated Property
Cp,gas	894.31	J/mol×K	676.89	Calculated Property
Cp,gas	932.76	J/mol×K	757.67	Calculated Property
Cp,gas	962.75	J/mol×K	838.44	Calculated Property
Cp,gas	985.52	J/mol×K	919.22	Calculated Property
Cp,gas	1002.31	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0000236; 0.0000025]	Pa×s	[702.13; 948.66]	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			-1.92599e+01
Coefficient B			6.04330e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			702.13
Temperature range, max.			948.66
η	0.0000236	Pa×s	702.13	Calculated Property
η	0.0000171	Pa×s	729.52	Calculated Property
η	0.0000127	Pa×s	756.92	Calculated Property
η	0.0000096	Pa×s	784.31	Calculated Property
η	0.0000074	Pa×s	811.70	Calculated Property
η	0.0000058	Pa×s	839.09	Calculated Property
η	0.0000046	Pa×s	866.49	Calculated Property
η	0.0000037	Pa×s	893.88	Calculated Property
η	0.0000031	Pa×s	921.27	Calculated Property
η	0.0000025	Pa×s	948.66	Calculated Property

Similar Compounds

Find more compounds similar to 3-[(2,2-Dichloropropanoyl)oxy]-2,2-bis([(2,2-dichloropropanoyl)oxy]methyl)propyl 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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