Chemical Properties of (4-Tert-butylphenyl)(5-chloro-2-hydroxyphenyl)methanone

InChI

InChI=1S/C17H17ClO2/c1-17(2,3)12-6-4-11(5-7-12)16(20)14-10-13(18)8-9-15(14)19/h4-10,19H,1-3H3

InChI Key

VINZEFCPDDPHNN-UHFFFAOYSA-N

Formula

C17H17ClO2

SMILES

CC(C)(C)c1ccc(C(=O)c2cc(Cl)ccc2O)cc1

Molecular Weight¹

288.77

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical 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 Volume, Standard Gibbs free energy of formation, Acentric Factor, 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	[286.46; 674.42]	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			-6.49200e+01
Coefficient B			1.60126e+00
Coefficient C			-1.25918e-03
Coefficient D			3.97260e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	286.46	J/mol×K	273.00	Calculated Property
Cp,gas	361.56	J/mol×K	353.78	Calculated Property
Cp,gas	425.73	J/mol×K	434.56	Calculated Property
Cp,gas	480.23	J/mol×K	515.33	Calculated Property
Cp,gas	526.31	J/mol×K	596.11	Calculated Property
Cp,gas	565.23	J/mol×K	676.89	Calculated Property
Cp,gas	598.24	J/mol×K	757.67	Calculated Property
Cp,gas	626.61	J/mol×K	838.44	Calculated Property
Cp,gas	651.58	J/mol×K	919.22	Calculated Property
Cp,gas	674.42	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0001120; 0.0000100]	Pa×s	[553.22; 752.88]	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			-1.82184e+01
Coefficient B			5.04631e+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.			553.22
Temperature range, max.			752.88
η	0.0001120	Pa×s	553.22	Calculated Property
η	0.0000788	Pa×s	575.40	Calculated Property
η	0.0000569	Pa×s	597.59	Calculated Property
η	0.0000421	Pa×s	619.77	Calculated Property
η	0.0000318	Pa×s	641.96	Calculated Property
η	0.0000244	Pa×s	664.14	Calculated Property
η	0.0000191	Pa×s	686.33	Calculated Property
η	0.0000152	Pa×s	708.51	Calculated Property
η	0.0000122	Pa×s	730.70	Calculated Property
η	0.0000100	Pa×s	752.88	Calculated Property

Similar Compounds

Find more compounds similar to (4-Tert-butylphenyl)(5-chloro-2-hydroxyphenyl)methanone.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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