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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[346.54; 373.08]	J/mol×K	[667.09; 904.93]
Cp,gas	346.54	J/mol×K	667.09	Joback Calculated Property
Cp,gas	352.68	J/mol×K	706.73	Joback Calculated Property
Cp,gas	358.03	J/mol×K	746.37	Joback Calculated Property
Cp,gas	362.68	J/mol×K	786.01	Joback Calculated Property
Cp,gas	366.69	J/mol×K	825.65	Joback Calculated Property
Cp,gas	370.13	J/mol×K	865.29	Joback Calculated Property
Cp,gas	373.08	J/mol×K	904.93	Joback Calculated Property
η	[0.0001450; 0.0016496]	Pa×s	[434.00; 667.09]
η	0.0016496	Pa×s	434.00	Joback Calculated Property
η	0.0009312	Pa×s	472.85	Joback Calculated Property
η	0.0005734	Pa×s	511.70	Joback Calculated Property
η	0.0003781	Pa×s	550.54	Joback Calculated Property
η	0.0002633	Pa×s	589.39	Joback Calculated Property
η	0.0001918	Pa×s	628.24	Joback Calculated Property
η	0.0001450	Pa×s	667.09	Joback 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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