Chemical Properties of Di-(2-o-chlorophenyl-ethylene)-ketone (CAS 5332-98-9)

InChI

InChI=1S/C17H12Cl2O/c18-16-7-3-1-5-13(16)9-11-15(20)12-10-14-6-2-4-8-17(14)19/h1-12H/b11-9+,12-10+

InChI Key

OZBIBYIDJNVAOQ-WGDLNXRISA-N

Formula

C17H12Cl2O

SMILES

O=C(C=Cc1ccccc1Cl)C=Cc1ccccc1Cl

Molecular Weight¹

303.18

CAS

5332-98-9

• 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).
• 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	[256.43; 597.64]	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			-4.70000e+01
Coefficient B			1.36760e+00
Coefficient C			-1.01902e-03
Coefficient D			2.96060e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	256.43	J/mol×K	273.00	Calculated Property
Cp,gas	322.40	J/mol×K	353.78	Calculated Property
Cp,gas	379.16	J/mol×K	434.56	Calculated Property
Cp,gas	427.67	J/mol×K	515.33	Calculated Property
Cp,gas	468.85	J/mol×K	596.11	Calculated Property
Cp,gas	503.64	J/mol×K	676.89	Calculated Property
Cp,gas	532.98	J/mol×K	757.67	Calculated Property
Cp,gas	557.80	J/mol×K	838.44	Calculated Property
Cp,gas	579.04	J/mol×K	919.22	Calculated Property
Cp,gas	597.64	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0007971; 0.0001118]	Pa×s	[458.84; 731.70]	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			-1.24016e+01
Coefficient B			2.41679e+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.			458.84
Temperature range, max.			731.70
η	0.0007971	Pa×s	458.84	Calculated Property
η	0.0005751	Pa×s	489.16	Calculated Property
η	0.0004311	Pa×s	519.47	Calculated Property
η	0.0003335	Pa×s	549.79	Calculated Property
η	0.0002651	Pa×s	580.11	Calculated Property
η	0.0002155	Pa×s	610.43	Calculated Property
η	0.0001787	Pa×s	640.74	Calculated Property
η	0.0001507	Pa×s	671.06	Calculated Property
η	0.0001290	Pa×s	701.38	Calculated Property
η	0.0001118	Pa×s	731.70	Calculated Property

Similar Compounds

Find more compounds similar to Di-(2-o-chlorophenyl-ethylene)-ketone.

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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