Chemical Properties of 2-Propanone, 1,1,3-trichloro- (CAS 921-03-9)

InChI

InChI=1S/C3H3Cl3O/c4-1-2(7)3(5)6/h3H,1H2

InChI Key

ZWILTCXCTVMANU-UHFFFAOYSA-N

Formula

C3H3Cl3O

SMILES

O=C(CCl)C(Cl)Cl

Molecular Weight¹

161.41

CAS

921-03-9

Other Names

• «alpha»,«alpha»',«alpha»'-Trichloroacetone
• 1,1,3-Trichloroacetone
• 1,1,3-Trichloro-2-propanone

• 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).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• 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 vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor 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	[109.95; 188.47]	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			4.45110e+01
Coefficient B			2.87100e-01
Coefficient C			-1.85100e-04
Coefficient D			4.19600e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	109.95	J/mol×K	273.00	Calculated Property
Cp,gas	124.77	J/mol×K	353.78	Calculated Property
Cp,gas	137.76	J/mol×K	434.56	Calculated Property
Cp,gas	149.05	J/mol×K	515.33	Calculated Property
Cp,gas	158.77	J/mol×K	596.11	Calculated Property
Cp,gas	167.05	J/mol×K	676.89	Calculated Property
Cp,gas	174.03	J/mol×K	757.67	Calculated Property
Cp,gas	179.84	J/mol×K	838.44	Calculated Property
Cp,gas	184.61	J/mol×K	919.22	Calculated Property
Cp,gas	188.47	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0048954; 0.0003955]	Pa×s	[248.26; 450.60]	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			-1.09220e+01
Coefficient B			1.39089e+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.			248.26
Temperature range, max.			450.60
η	0.0048954	Pa×s	248.26	Calculated Property
η	0.0030742	Pa×s	270.74	Calculated Property
η	0.0020733	Pa×s	293.22	Calculated Property
η	0.0014790	Pa×s	315.71	Calculated Property
η	0.0011035	Pa×s	338.19	Calculated Property
η	0.0008540	Pa×s	360.67	Calculated Property
η	0.0006810	Pa×s	383.15	Calculated Property
η	0.0005569	Pa×s	405.64	Calculated Property
η	0.0004651	Pa×s	428.12	Calculated Property
η	0.0003955	Pa×s	450.60	Calculated Property

Similar Compounds

Find more compounds similar to 2-Propanone, 1,1,3-trichloro-.

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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