Chemical Properties of 2-Propanone, 1-bromo-1,1,3-trichloro- (CAS 16995-36-1)

InChI

InChI=1S/C3H2BrCl3O/c4-3(6,7)2(8)1-5/h1H2

InChI Key

LZGRQTQVHSDAQR-UHFFFAOYSA-N

Formula

C3H2BrCl3O

SMILES

O=C(CCl)C(Cl)(Cl)Br

Molecular Weight¹

240.31

CAS

16995-36-1

• 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).
• 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, 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	[122.79; 198.47]	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			2.99110e+01
Coefficient B			4.45200e-01
Coefficient C			-4.25100e-04
Coefficient D			1.48460e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	122.79	J/mol×K	273.00	Calculated Property
Cp,gas	140.78	J/mol×K	353.78	Calculated Property
Cp,gas	155.28	J/mol×K	434.56	Calculated Property
Cp,gas	166.76	J/mol×K	515.33	Calculated Property
Cp,gas	175.69	J/mol×K	596.11	Calculated Property
Cp,gas	182.53	J/mol×K	676.89	Calculated Property
Cp,gas	187.76	J/mol×K	757.67	Calculated Property
Cp,gas	191.85	J/mol×K	838.44	Calculated Property
Cp,gas	195.26	J/mol×K	919.22	Calculated Property
Cp,gas	198.47	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0034447; 0.0004139]	Pa×s	[325.48; 514.34]	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			-1.14421e+01
Coefficient B			1.87839e+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.			325.48
Temperature range, max.			514.34
η	0.0034447	Pa×s	325.48	Calculated Property
η	0.0024285	Pa×s	346.46	Calculated Property
η	0.0017819	Pa×s	367.45	Calculated Property
η	0.0013519	Pa×s	388.43	Calculated Property
η	0.0010551	Pa×s	409.42	Calculated Property
η	0.0008436	Pa×s	430.40	Calculated Property
η	0.0006887	Pa×s	451.38	Calculated Property
η	0.0005725	Pa×s	472.37	Calculated Property
η	0.0004834	Pa×s	493.35	Calculated Property
η	0.0004139	Pa×s	514.34	Calculated Property

Similar Compounds

Find more compounds similar to 2-Propanone, 1-bromo-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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