Chemical Properties of (E)-1-(2-Hydroxy-4,6-dimethoxyphenyl)-3-phenylprop-2-en-1-one

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

InChI
InChI=1S/C17H16O4/c1-20-13-10-15(19)17(16(11-13)21-2)14(18)9-8-12-6-4-3-5-7-12/h3-11,19H,1-2H3/b9-8+
InChI Key
QKQLSQLKXBHUSO-CMDGGOBGSA-N
Formula
C17H16O4
SMILES
COc1cc(O)c(C(=O)/C=C/c2ccccc2)c(OC)c1
Molecular Weight1
284.31
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Physical Properties

Property Value Unit Source
ΔfH°gas -381.25 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 37.05 kJ/mol Joback Calculated Property
IE 7.82 eV Relay (1.0) Calculated Property
logPoct/wat 3.305 Crippen Calculated Property
McVol 217.750 ml/mol McGowan Calculated Property
Inp [2636.10; 2636.10]   Show Hide
Inp 2636.10 NIST
Inp 2636.10 NIST
Tboil 644.88 K Relay (1.0) Calculated Property
Tfus 409.72 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, 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 [291.32; 671.10] 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 A-1.65200e+01
Coefficient B1.36224e+00
Coefficient C-9.28780e-04
Coefficient D2.54160e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 291.32 J/mol×K 273.00 Calculated Property
Cp,gas 360.42 J/mol×K 353.78 Calculated Property
Cp,gas 420.92 J/mol×K 434.56 Calculated Property
Cp,gas 473.62 J/mol×K 515.33 Calculated Property
Cp,gas 519.32 J/mol×K 596.11 Calculated Property
Cp,gas 558.84 J/mol×K 676.89 Calculated Property
Cp,gas 592.98 J/mol×K 757.67 Calculated Property
Cp,gas 622.53 J/mol×K 838.44 Calculated Property
Cp,gas 648.30 J/mol×K 919.22 Calculated Property
Cp,gas 671.10 J/mol×K 1000.00 Calculated Property
Property Value Unit Temperature (K) Source
η [0.0000678; 0.0000073] Pa×s [560.26; 754.34] 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-1.82639e+01
Coefficient B4.85487e+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.560.26
Temperature range, max.754.34
η 0.0000678 Pa×s 560.26 Calculated Property
η 0.0000492 Pa×s 581.82 Calculated Property
η 0.0000365 Pa×s 603.39 Calculated Property
η 0.0000277 Pa×s 624.95 Calculated Property
η 0.0000213 Pa×s 646.52 Calculated Property
η 0.0000168 Pa×s 668.08 Calculated Property
η 0.0000133 Pa×s 689.65 Calculated Property
η 0.0000108 Pa×s 711.21 Calculated Property
η 0.0000088 Pa×s 732.78 Calculated Property
η 0.0000073 Pa×s 754.34 Calculated Property

Similar Compounds

(E)-1-(2-Hydroxy-4,6-dimethoxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one. 2-Propen-1-one, 1-(2,6-dihydroxy-4-methoxyphenyl)-3-phenyl-. 2-Propen-1-one, 1-(2,6-dihydroxy-4-methoxyphenyl)-3-phenyl-, (E)-. 2'-Hydroxy-4,4',5',6'-tetramethoxychalcone. 2'-Hydroxy-3,3',4,4',5',6'-hexamethoxy-chalcone. Chalcone, 2'-hydroxy-3',4,4',5',6'-pentamethoxy-. Pinostrobin chalcone, TMS. Chalcone, 2',4,6'-trihydroxy-4'-methoxy, TMS. 1H-Phenalen-1-one,9-ethoxy-. PROPAFENONE-H2O, M(HO-)-H2O, AC. 4-Bromo-7-methoxy-1-oxo-indene. Spiro[2H-1-benzopyran-2,2'-[2H]indole], 1',3'-dihydro-1',3',3'-trimethyl-6-nitro-. Sertraline, (hydroxyketone), acetyl. narwedine. 6H-Benzofuro[3a,3,2-ef][2]benzazepin-6-one, 4a,5,9,10,11,12-hexahydro-3-methoxy-11-methyl-, (4aS,8aS)-.

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

Sources

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