Chemical Properties of (E)-1-(2-Hydroxy-4,6-dimethoxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one (CAS 64680-84-8)

(E)-1-(2-Hydroxy-4,6-dimethoxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one

InChI
InChI=1S/C18H18O5/c1-21-13-7-4-12(5-8-13)6-9-15(19)18-16(20)10-14(22-2)11-17(18)23-3/h4-11,20H,1-3H3/b9-6+
InChI Key
CGIBCVBDFUTMPT-RMKNXTFCSA-N
Formula
C18H18O5
SMILES
COc1ccc(C=CC(=O)c2c(O)cc(OC)cc2OC)cc1
Molecular Weight1
314.33
CAS
64680-84-8
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Physical Properties

Property Value Unit Source
ΔfusH° 40.44 kJ/mol Joback Calculated Property
ΔvapH° 113.69 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 3.314 Crippen Calculated Property
McVol 237.710 ml/mol McGowan Calculated Property
Inp [2964.90; 2964.90]   Show Hide
Inp 2964.90 NIST
Inp 2964.90 NIST
Tboil 661.20 K Relay (1.0) Calculated Property
Tfus 410.52 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, 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 [330.49; 738.15] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A2.23700e+01
Coefficient B1.33456e+00
Coefficient C-8.05140e-04
Coefficient D1.86360e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 330.49 J/mol×K 273.00 Calculated Property
Cp,gas 401.99 J/mol×K 353.78 Calculated Property
Cp,gas 465.56 J/mol×K 434.56 Calculated Property
Cp,gas 521.80 J/mol×K 515.33 Calculated Property
Cp,gas 571.29 J/mol×K 596.11 Calculated Property
Cp,gas 614.62 J/mol×K 676.89 Calculated Property
Cp,gas 652.38 J/mol×K 757.67 Calculated Property
Cp,gas 685.16 J/mol×K 838.44 Calculated Property
Cp,gas 713.56 J/mol×K 919.22 Calculated Property
Cp,gas 738.15 J/mol×K 1000.00 Calculated Property
Property Value Unit Temperature (K) Source
η [0.0000312; 0.0000047] Pa×s [606.28; 785.83] Joback Predicted correlation Show Hide
EquationY = exp(A + B/T + C·ln(T) + D·T^E)
Y is η in Pa×s, T in K
Coefficient A-1.86545e+01
Coefficient B5.01986e+03
Coefficient C0.00000e+00
Coefficient D0.00000e+00
Coefficient E0.00000e+00
CommentLiquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.606.28
Temperature range, max.785.83
η 0.0000312 Pa×s 606.28 Calculated Property
η 0.0000240 Pa×s 626.23 Calculated Property
η 0.0000187 Pa×s 646.18 Calculated Property
η 0.0000148 Pa×s 666.13 Calculated Property
η 0.0000119 Pa×s 686.08 Calculated Property
η 0.0000097 Pa×s 706.03 Calculated Property
η 0.0000080 Pa×s 725.98 Calculated Property
η 0.0000066 Pa×s 745.93 Calculated Property
η 0.0000056 Pa×s 765.88 Calculated Property
η 0.0000047 Pa×s 785.83 Calculated Property

Similar Compounds

(E)-1-(2-Hydroxy-4,6-dimethoxyphenyl)-3-phenylprop-2-en-1-one. 2'-Hydroxy-4,4',5',6'-tetramethoxychalcone. 2-Propen-1-one, 1-(2,6-dihydroxy-4-methoxyphenyl)-3-phenyl-, (E)-. 2-Propen-1-one, 1-(2,6-dihydroxy-4-methoxyphenyl)-3-phenyl-. Chalcone, 2'-hydroxy-3',4,4',5',6'-pentamethoxy-. 2'-Hydroxy-3,3',4,4',5',6'-hexamethoxy-chalcone. Chalcone, 2',4,6'-trihydroxy-4'-methoxy, TMS. Pinostrobin chalcone, TMS. 1H-Phenalen-1-one,9-ethoxy-. PROPAFENONE-H2O, M(HO-)-H2O, AC. Spiro[2H-1-benzopyran-2,2'-[2H]indole], 1',3'-dihydro-1',3',3'-trimethyl-6-nitro-. Sertraline, (hydroxyketone), acetyl. cannabidiolic acid, phenyl-boronate. 6H-Benzofuro[3a,3,2-ef][2]benzazepin-6-one, 4a,5,9,10,11,12-hexahydro-3-methoxy-11-methyl-, (4aS,8aS)-. propyl-«delta»1-tetrahydrocannabinolic acid, TMS.

Find more compounds similar to (E)-1-(2-Hydroxy-4,6-dimethoxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one.

Sources

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