Chemical Properties of 3-(Hydroxyphenylmethyl)-3,4-dimethyl-1-phenylpentan-2-one (CAS 97234-51-0)

InChI

InChI=1S/C20H24O2/c1-15(2)20(3,19(22)17-12-8-5-9-13-17)18(21)14-16-10-6-4-7-11-16/h4-13,15,19,22H,14H2,1-3H3

InChI Key

HMLHBLHHYRCPRN-UHFFFAOYSA-N

Formula

C20H24O2

SMILES

CC(C)C(C)(C(=O)Cc1ccccc1)C(O)c1ccccc1

Molecular Weight¹

296.40

CAS

97234-51-0

• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, 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	[326.58; 824.33]	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			-9.82890e+01
Coefficient B			1.88966e+00
Coefficient C			-1.31650e-03
Coefficient D			3.49460e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	326.58	J/mol×K	273.00	Calculated Property
Cp,gas	420.93	J/mol×K	353.78	Calculated Property
Cp,gas	502.94	J/mol×K	434.56	Calculated Property
Cp,gas	573.72	J/mol×K	515.33	Calculated Property
Cp,gas	634.37	J/mol×K	596.11	Calculated Property
Cp,gas	685.99	J/mol×K	676.89	Calculated Property
Cp,gas	729.69	J/mol×K	757.67	Calculated Property
Cp,gas	766.58	J/mol×K	838.44	Calculated Property
Cp,gas	797.76	J/mol×K	919.22	Calculated Property
Cp,gas	824.33	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0012064; 0.0000212]	Pa×s	[451.17; 753.95]	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			-1.67883e+01
Coefficient B			4.54244e+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.			451.17
Temperature range, max.			753.95
η	0.0012064	Pa×s	451.17	Calculated Property
η	0.0005999	Pa×s	484.81	Calculated Property
η	0.0003266	Pa×s	518.46	Calculated Property
η	0.0001915	Pa×s	552.10	Calculated Property
η	0.0001194	Pa×s	585.74	Calculated Property
η	0.0000783	Pa×s	619.38	Calculated Property
η	0.0000537	Pa×s	653.03	Calculated Property
η	0.0000382	Pa×s	686.67	Calculated Property
η	0.0000280	Pa×s	720.31	Calculated Property
η	0.0000212	Pa×s	753.95	Calculated Property

Similar Compounds

Find more compounds similar to 3-(Hydroxyphenylmethyl)-3,4-dimethyl-1-phenylpentan-2-one.

Sources

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

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