Chemical Properties of 1,3-Bis(4-chlorophenyl)-1-butanone

InChI

InChI=1S/C16H14Cl2O/c1-11(12-2-6-14(17)7-3-12)10-16(19)13-4-8-15(18)9-5-13/h2-9,11H,10H2,1H3

InChI Key

UORMYKLQVWZZHA-UHFFFAOYSA-N

Formula

C16H14Cl2O

SMILES

CC(CC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1

Molecular Weight¹

293.19

• 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).
• 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).
• 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, 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	[262.91; 607.75]	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			-1.94090e+01
Coefficient B			1.23852e+00
Coefficient C			-8.00220e-04
Coefficient D			1.88860e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	262.91	J/mol×K	273.00	Calculated Property
Cp,gas	326.96	J/mol×K	353.78	Calculated Property
Cp,gas	383.18	J/mol×K	434.56	Calculated Property
Cp,gas	432.18	J/mol×K	515.33	Calculated Property
Cp,gas	474.54	J/mol×K	596.11	Calculated Property
Cp,gas	510.86	J/mol×K	676.89	Calculated Property
Cp,gas	541.75	J/mol×K	757.67	Calculated Property
Cp,gas	567.79	J/mol×K	838.44	Calculated Property
Cp,gas	589.59	J/mol×K	919.22	Calculated Property
Cp,gas	607.75	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0011601; 0.0001546]	Pa×s	[442.73; 703.38]	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			-1.21982e+01
Coefficient B			2.40797e+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.			442.73
Temperature range, max.			703.38
η	0.0011601	Pa×s	442.73	Calculated Property
η	0.0008307	Pa×s	471.69	Calculated Property
η	0.0006183	Pa×s	500.65	Calculated Property
η	0.0004753	Pa×s	529.61	Calculated Property
η	0.0003755	Pa×s	558.57	Calculated Property
η	0.0003036	Pa×s	587.53	Calculated Property
η	0.0002504	Pa×s	616.49	Calculated Property
η	0.0002102	Pa×s	645.46	Calculated Property
η	0.0001791	Pa×s	674.42	Calculated Property
η	0.0001546	Pa×s	703.38	Calculated Property

Similar Compounds

Find more compounds similar to 1,3-Bis(4-chlorophenyl)-1-butanone.

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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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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