Chemical Properties of Phloretin, tetramethyl ether

InChI

InChI=1S/C19H22O5/c1-21-14-8-5-13(6-9-14)7-10-16(20)19-17(23-3)11-15(22-2)12-18(19)24-4/h5-6,8-9,11-12H,7,10H2,1-4H3

InChI Key

OTGNHTCWPYBYKB-UHFFFAOYSA-N

Formula

C19H22O5

SMILES

COc1ccc(CCC(=O)c2c(OC)cc(OC)cc2OC)cc1

Molecular Weight¹

330.38

Other Names

• 3-(4-Methoxyphenyl)-1-(2,4,6-trimethoxyphenyl)propan-1-one

• 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).
• I_np : Non-polar retention indices.
• 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	[366.77; 813.36]	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			8.43620e+01
Coefficient B			1.13228e+00
Coefficient C			-3.41340e-04
Coefficient D			-6.19400e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	366.77	J/mol×K	273.00	Calculated Property
Cp,gas	439.47	J/mol×K	353.78	Calculated Property
Cp,gas	506.86	J/mol×K	434.56	Calculated Property
Cp,gas	568.74	J/mol×K	515.33	Calculated Property
Cp,gas	624.91	J/mol×K	596.11	Calculated Property
Cp,gas	675.19	J/mol×K	676.89	Calculated Property
Cp,gas	719.36	J/mol×K	757.67	Calculated Property
Cp,gas	757.25	J/mol×K	838.44	Calculated Property
Cp,gas	788.65	J/mol×K	919.22	Calculated Property
Cp,gas	813.36	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0002319; 0.0000605]	Pa×s	[545.66; 749.56]	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			-1.33098e+01
Coefficient B			2.69583e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			545.66
Temperature range, max.			749.56
η	0.0002319	Pa×s	545.66	Calculated Property
η	0.0001904	Pa×s	568.32	Calculated Property
η	0.0001588	Pa×s	590.97	Calculated Property
η	0.0001342	Pa×s	613.63	Calculated Property
η	0.0001147	Pa×s	636.28	Calculated Property
η	0.0000992	Pa×s	658.94	Calculated Property
η	0.0000866	Pa×s	681.59	Calculated Property
η	0.0000762	Pa×s	704.25	Calculated Property
η	0.0000677	Pa×s	726.90	Calculated Property
η	0.0000605	Pa×s	749.56	Calculated Property

Similar Compounds

Find more compounds similar to Phloretin, tetramethyl ether.

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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