Chemical Properties of 4-(4-Hydroxybenzoyl)phenyl 2,2-dichloropropanoate (CAS 116495-90-0)

InChI

InChI=1S/C16H12Cl2O4/c1-16(17,18)15(21)22-13-8-4-11(5-9-13)14(20)10-2-6-12(19)7-3-10/h2-9,19H,1H3

InChI Key

GQQYKXUULIADAL-UHFFFAOYSA-N

Formula

C16H12Cl2O4

SMILES

CC(Cl)(Cl)C(=O)Oc1ccc(C(=O)c2ccc(O)cc2)cc1

Molecular Weight¹

339.17

CAS

116495-90-0

• 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).
• 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, Enthalpy of formation 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	[292.44; 642.25]	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			-4.00100e+01
Coefficient B			1.51772e+00
Coefficient C			-1.19762e-03
Coefficient D			3.62160e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	292.44	J/mol×K	273.00	Calculated Property
Cp,gas	363.07	J/mol×K	353.78	Calculated Property
Cp,gas	423.09	J/mol×K	434.56	Calculated Property
Cp,gas	473.64	J/mol×K	515.33	Calculated Property
Cp,gas	515.86	J/mol×K	596.11	Calculated Property
Cp,gas	550.91	J/mol×K	676.89	Calculated Property
Cp,gas	579.93	J/mol×K	757.67	Calculated Property
Cp,gas	604.06	J/mol×K	838.44	Calculated Property
Cp,gas	624.45	J/mol×K	919.22	Calculated Property
Cp,gas	642.25	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0000574; 0.0000056]	Pa×s	[601.68; 803.82]	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			-1.90135e+01
Coefficient B			5.56445e+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.			601.68
Temperature range, max.			803.82
η	0.0000574	Pa×s	601.68	Calculated Property
η	0.0000412	Pa×s	624.14	Calculated Property
η	0.0000302	Pa×s	646.60	Calculated Property
η	0.0000226	Pa×s	669.06	Calculated Property
η	0.0000173	Pa×s	691.52	Calculated Property
η	0.0000134	Pa×s	713.98	Calculated Property
η	0.0000106	Pa×s	736.44	Calculated Property
η	0.0000085	Pa×s	758.90	Calculated Property
η	0.0000068	Pa×s	781.36	Calculated Property
η	0.0000056	Pa×s	803.82	Calculated Property

Similar Compounds

Find more compounds similar to 4-(4-Hydroxybenzoyl)phenyl 2,2-dichloropropanoate.

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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