Chemical Properties of Phloretin, tetramethyl ether

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
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Physical Properties

Property Value Unit Source
ΔfH°gas -587.26 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 37.84 kJ/mol Joback Calculated Property
IE 7.75 eV Relay (1.0) Calculated Property
log10WS -4.75 Relay (1.0) Calculated Property
logPoct/wat 3.536 Crippen Calculated Property
McVol 256.100 ml/mol McGowan Calculated Property
Inp 2739.00 NIST
Tboil 670.90 K Relay (1.0) Calculated Property
Tfus 375.86 K Relay (1.0) Calculated Property

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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [762.54; 829.33] J/mol×K [850.95; 1070.55] Show Hide
Cp,gas 762.54 J/mol×K 850.95 Joback Calculated Property
Cp,gas 777.12 J/mol×K 887.55 Joback Calculated Property
Cp,gas 790.35 J/mol×K 924.15 Joback Calculated Property
Cp,gas 802.20 J/mol×K 960.75 Joback Calculated Property
Cp,gas 812.66 J/mol×K 997.35 Joback Calculated Property
Cp,gas 821.71 J/mol×K 1033.95 Joback Calculated Property
Cp,gas 829.33 J/mol×K 1070.55 Joback Calculated Property
η [0.0000394; 0.0002319] Pa×s [545.66; 850.95] Show Hide
η 0.0002319 Pa×s 545.66 Joback Calculated Property
η 0.0001521 Pa×s 596.54 Joback Calculated Property
η 0.0001067 Pa×s 647.42 Joback Calculated Property
η 0.0000788 Pa×s 698.31 Joback Calculated Property
η 0.0000606 Pa×s 749.19 Joback Calculated Property
η 0.0000482 Pa×s 800.07 Joback Calculated Property
η 0.0000394 Pa×s 850.95 Joback Calculated Property

Similar Compounds

Ketone, 2-methoxy-1-naphthyl-beta-phenylethyl. 3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one. PROPAFENONE-H2O, M(DESAMINO-HO-), AC. 1-{2-[2-(Diethylamino)ethoxy]phenyl}-3-phenylpropan-1-one. Dohydrochalcone, 2',6'-dihydroxy-4,4'-dimethoxy, TMS. Dihydrochalcone, 2',4',6'-trihydroxy-4-methoxy, TMS. Dihydrochalcone, 2',6',4-trihydroxy-4'-methoxy, tris-TMS. 1-(2-Hydroxyphenyl)-3-phenyl-1-propanone. Dihydrochalcone, 2',6'-dihydroxy-4'-methoxy, bis-TMS. 5,7-Dimethoxy-2-(4-methoxyphenyl)chroman-4-one. 1,2-Diacetoxy-3-[2-(3-phenylpropionyl)phenoxy]propane. PROPAFENONE-H2O, AC. 4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dimethoxy-2-phenyl-. PROPAFENONE-H2O, M(DESAMINO-DI-IIO-), AC. Benzene, 1,3-dimethoxy-4-propyl.

Find more compounds similar to Phloretin, tetramethyl ether.

Sources

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