Chemical Properties of (5-Tert-butyl-2-hydroxyphenyl)(phenyl)methanone

InChI

InChI=1S/C17H18O2/c1-17(2,3)13-9-10-15(18)14(11-13)16(19)12-7-5-4-6-8-12/h4-11,18H,1-3H3

InChI Key

IAAWULFRQOKLJI-UHFFFAOYSA-N

Formula

C17H18O2

SMILES

CC(C)(C)c1ccc(O)c(C(=O)c2ccccc2)c1

Molecular Weight¹

254.33

• 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).
• 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 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	[270.51; 669.19]	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			-9.21100e+01
Coefficient B			1.65396e+00
Coefficient C			-1.30582e-03
Coefficient D			4.13160e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	270.51	J/mol×K	273.00	Calculated Property
Cp,gas	347.88	J/mol×K	353.78	Calculated Property
Cp,gas	413.94	J/mol×K	434.56	Calculated Property
Cp,gas	469.99	J/mol×K	515.33	Calculated Property
Cp,gas	517.33	J/mol×K	596.11	Calculated Property
Cp,gas	557.27	J/mol×K	676.89	Calculated Property
Cp,gas	591.12	J/mol×K	757.67	Calculated Property
Cp,gas	620.19	J/mol×K	838.44	Calculated Property
Cp,gas	645.78	J/mol×K	919.22	Calculated Property
Cp,gas	669.19	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0002033; 0.0000122]	Pa×s	[510.78; 721.52]	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			-1.81454e+01
Coefficient B			4.92625e+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.			510.78
Temperature range, max.			721.52
η	0.0002033	Pa×s	510.78	Calculated Property
η	0.0001332	Pa×s	534.20	Calculated Property
η	0.0000904	Pa×s	557.61	Calculated Property
η	0.0000634	Pa×s	581.03	Calculated Property
η	0.0000456	Pa×s	604.44	Calculated Property
η	0.0000337	Pa×s	627.86	Calculated Property
η	0.0000254	Pa×s	651.27	Calculated Property
η	0.0000195	Pa×s	674.69	Calculated Property
η	0.0000153	Pa×s	698.10	Calculated Property
η	0.0000122	Pa×s	721.52	Calculated Property

Similar Compounds

Find more compounds similar to (5-Tert-butyl-2-hydroxyphenyl)(phenyl)methanone.

Sources

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

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