Chemical Properties of 1,1,2-Trichloropropanoic anhydride (CAS 116402-54-1)

InChI

InChI=1S/C6H4Cl6O3/c7-1-5(9,10)3(13)15-4(14)6(11,12)2-8/h1-2H2

InChI Key

SUGRZHYYBAXPPQ-UHFFFAOYSA-N

Formula

C6H4Cl6O3

SMILES

O=C(OC(=O)C(Cl)(Cl)CCl)C(Cl)(Cl)CCl

Molecular Weight¹

336.81

CAS

116402-54-1

• 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).
• 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	[227.54; 378.56]	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			5.86020e+01
Coefficient B			7.83400e-01
Coefficient C			-6.55300e-04
Coefficient D			1.91860e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	227.54	J/mol×K	273.00	Calculated Property
Cp,gas	262.23	J/mol×K	353.78	Calculated Property
Cp,gas	291.03	J/mol×K	434.56	Calculated Property
Cp,gas	314.54	J/mol×K	515.33	Calculated Property
Cp,gas	333.38	J/mol×K	596.11	Calculated Property
Cp,gas	348.14	J/mol×K	676.89	Calculated Property
Cp,gas	359.43	J/mol×K	757.67	Calculated Property
Cp,gas	367.86	J/mol×K	838.44	Calculated Property
Cp,gas	374.03	J/mol×K	919.22	Calculated Property
Cp,gas	378.56	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0016496; 0.0001844]	Pa×s	[434.00; 633.45]	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			-1.33665e+01
Coefficient B			3.02031e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			434.00
Temperature range, max.			633.45
η	0.0016496	Pa×s	434.00	Calculated Property
η	0.0011764	Pa×s	456.16	Calculated Property
η	0.0008656	Pa×s	478.32	Calculated Property
η	0.0006545	Pa×s	500.48	Calculated Property
η	0.0005067	Pa×s	522.65	Calculated Property
η	0.0004006	Pa×s	544.81	Calculated Property
η	0.0003225	Pa×s	566.97	Calculated Property
η	0.0002639	Pa×s	589.13	Calculated Property
η	0.0002192	Pa×s	611.29	Calculated Property
η	0.0001844	Pa×s	633.45	Calculated Property

Similar Compounds

Find more compounds similar to 1,1,2-Trichloropropanoic anhydride.

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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