Chemical Properties of (E)-1-(4-Hydroxy-3-methoxyphenyl)hexadec-3-en-5-one

(E)-1-(4-Hydroxy-3-methoxyphenyl)hexadec-3-en-5-one

InChI
InChI=1S/C23H36O3/c1-3-4-5-6-7-8-9-10-11-15-21(24)16-13-12-14-20-17-18-22(25)23(19-20)26-2/h13,16-19,25H,3-12,14-15H2,1-2H3/b16-13+
InChI Key
ZRRQCKQGNSJPPU-DTQAZKPQSA-N
Formula
C23H36O3
SMILES
CCCCCCCCCCCC(=O)/C=C/CCc1ccc(O)c(OC)c1
Molecular Weight1
360.54
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Physical Properties

Property Value Unit Source
ΔfusH° 57.75 kJ/mol Joback Calculated Property
ΔvapH° 131.29 kJ/mol Relay (1.0) Calculated Property
log10WS -6.21 Relay (1.0) Calculated Property
logPoct/wat 6.380 Crippen Calculated Property
McVol 320.180 ml/mol McGowan Calculated Property
Inp [2862.20; 2862.20]   Show Hide
Inp 2862.20 NIST
Inp 2862.20 NIST
Tboil 646.55 K Relay (1.0) Calculated Property
Tfus 345.18 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 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 [457.91; 1083.71] 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-2.78680e+01
Coefficient B2.13384e+00
Coefficient C-1.40202e-03
Coefficient D3.79760e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 457.91 J/mol×K 273.00 Calculated Property
Cp,gas 568.38 J/mol×K 353.78 Calculated Property
Cp,gas 665.81 J/mol×K 434.56 Calculated Property
Cp,gas 751.41 J/mol×K 515.33 Calculated Property
Cp,gas 826.38 J/mol×K 596.11 Calculated Property
Cp,gas 891.91 J/mol×K 676.89 Calculated Property
Cp,gas 949.20 J/mol×K 757.67 Calculated Property
Cp,gas 999.47 J/mol×K 838.44 Calculated Property
Cp,gas 1043.91 J/mol×K 919.22 Calculated Property
Cp,gas 1083.71 J/mol×K 1000.00 Calculated Property
Property Value Unit Temperature (K) Source
η [0.0000635; 0.0000045] Pa×s [566.71; 790.18] 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-1.90444e+01
Coefficient B5.31558e+03
Coefficient C0.00000e+00
Coefficient D0.00000e+00
Coefficient E0.00000e+00
Temperature range, min.566.71
Temperature range, max.790.18
η 0.0000635 Pa×s 566.71 Calculated Property
η 0.0000428 Pa×s 591.54 Calculated Property
η 0.0000298 Pa×s 616.37 Calculated Property
η 0.0000214 Pa×s 641.20 Calculated Property
η 0.0000157 Pa×s 666.03 Calculated Property
η 0.0000118 Pa×s 690.86 Calculated Property
η 0.0000090 Pa×s 715.69 Calculated Property
η 0.0000070 Pa×s 740.52 Calculated Property
η 0.0000056 Pa×s 765.35 Calculated Property
η 0.0000045 Pa×s 790.18 Calculated Property

Similar Compounds

(E)-1-(4-Hydroxy-3-methoxyphenyl)tetradec-3-en-5-one. (E)-1-(4-Hydroxy-3-methoxyphenyl)dodec-3-en-5-one. (E)-1-(4-Hydroxy-3-methoxyphenyl)dec-3-en-5-one. (E)-1,7-bis(4-Hydroxy-3-methoxyphenyl)hept-4-en-3-one. (Z)-1,7-bis(4-Hydroxy-3-methoxyphenyl)hept-4-en-3-one. (E)-1-(4-Hydroxy-3-methoxyphenyl)hexadec-4-en-3-one. 1-(4-Hydroxy-3-methoxyphenyl)dodec-4-en-3-one. 1-(4-Hydroxy-3-methoxyphenyl)dec-4-en-3-one. (E)-1-(3,4-Dimethoxyphenyl)tetradec-4-en-3-one. (E)-1-(3,4-Dimethoxyphenyl)dodec-4-en-3-one. (E)-1-(3,4-Dimethoxyphenyl)dec-4-en-3-one. 6-(benzo[d][1,3]dioxol-5-yl)hex-3-en-2-one. 1-(4-Hydroxy-3-methoxyphenyl)hexadecane-3,5-dione. 1-(4-Hydroxy-3-methoxyphenyl)dodecane-3,5-dione. (E)-4-(2-(2-(2,6-Dimethylhepta-1,5-dien-1-yl)-6-pentyl-1,3-dioxan-4-yl)ethyl)-2-methoxyphenol.

Find more compounds similar to (E)-1-(4-Hydroxy-3-methoxyphenyl)hexadec-3-en-5-one.

Sources

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