Chemical Properties of 2-[(2,2,3-Trichloropropanoyl)oxy]ethyl 2,2,3-trichloropropanoate

InChI

InChI=1S/C8H8Cl6O4/c9-3-7(11,12)5(15)17-1-2-18-6(16)8(13,14)4-10/h1-4H2

InChI Key

SKXLHJXDCPXVGZ-UHFFFAOYSA-N

Formula

C8H8Cl6O4

SMILES

O=C(OCCOC(=O)C(Cl)(Cl)CCl)C(Cl)(Cl)CCl

Molecular Weight¹

380.87

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization 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, 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	[285.38; 500.83]	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			7.48340e+01
Coefficient B			9.46600e-01
Coefficient C			-6.88200e-04
Coefficient D			1.67600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	285.38	J/mol×K	273.00	Calculated Property
Cp,gas	331.01	J/mol×K	353.78	Calculated Property
Cp,gas	369.98	J/mol×K	434.56	Calculated Property
Cp,gas	402.82	J/mol×K	515.33	Calculated Property
Cp,gas	430.06	J/mol×K	596.11	Calculated Property
Cp,gas	452.24	J/mol×K	676.89	Calculated Property
Cp,gas	469.87	J/mol×K	757.67	Calculated Property
Cp,gas	483.49	J/mol×K	838.44	Calculated Property
Cp,gas	493.64	J/mol×K	919.22	Calculated Property
Cp,gas	500.83	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0011242; 0.0001041]	Pa×s	[448.94; 658.92]	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			-1.42576e+01
Coefficient B			3.35216e+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.			448.94
Temperature range, max.			658.92
η	0.0011242	Pa×s	448.94	Calculated Property
η	0.0007774	Pa×s	472.27	Calculated Property
η	0.0005566	Pa×s	495.60	Calculated Property
η	0.0004106	Pa×s	518.93	Calculated Property
η	0.0003110	Pa×s	542.27	Calculated Property
η	0.0002410	Pa×s	565.60	Calculated Property
η	0.0001906	Pa×s	588.93	Calculated Property
η	0.0001534	Pa×s	612.26	Calculated Property
η	0.0001255	Pa×s	635.59	Calculated Property
η	0.0001041	Pa×s	658.92	Calculated Property

Similar Compounds

Find more compounds similar to 2-[(2,2,3-Trichloropropanoyl)oxy]ethyl 2,2,3-trichloropropanoate.

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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