Chemical Properties of (E)-1-(4-Hydroxy-3-methoxyphenyl)dec-3-en-5-one (CAS 863913-65-9)

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

InChI
InChI=1S/C17H24O3/c1-3-4-5-9-15(18)10-7-6-8-14-11-12-16(19)17(13-14)20-2/h7,10-13,19H,3-6,8-9H2,1-2H3/b10-7+
InChI Key
CERFNDVNLCZPSE-JXMROGBWSA-N
Formula
C17H24O3
SMILES
CCCCCC(=O)C=CCCc1ccc(O)c(OC)c1
Molecular Weight1
276.37
CAS
863913-65-9
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Physical Properties

Property Value Unit Source
ΔfusH° 42.21 kJ/mol Joback Calculated Property
ΔvapH° 103.24 kJ/mol Relay (1.0) Calculated Property
log10WS -3.99 Relay (1.0) Calculated Property
logPoct/wat 4.039 Crippen Calculated Property
McVol 235.640 ml/mol McGowan Calculated Property
Inp [2231.70; 2231.70]   Show Hide
Inp 2231.70 NIST
Inp 2231.70 NIST
Tboil 603.69 K Relay (1.0) Calculated Property
Tfus 329.71 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 [330.62; 774.17] 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-2.24140e+01
Coefficient B1.56384e+00
Coefficient C-1.07562e-03
Coefficient D3.08360e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 330.62 J/mol×K 273.00 Calculated Property
Cp,gas 409.87 J/mol×K 353.78 Calculated Property
Cp,gas 479.35 J/mol×K 434.56 Calculated Property
Cp,gas 540.04 J/mol×K 515.33 Calculated Property
Cp,gas 592.91 J/mol×K 596.11 Calculated Property
Cp,gas 638.94 J/mol×K 676.89 Calculated Property
Cp,gas 679.11 J/mol×K 757.67 Calculated Property
Cp,gas 714.38 J/mol×K 838.44 Calculated Property
Cp,gas 745.74 J/mol×K 919.22 Calculated Property
Cp,gas 774.17 J/mol×K 1000.00 Calculated Property
Property Value Unit Temperature (K) Source
η [0.0001845; 0.0000128] Pa×s [499.09; 693.76] 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-1.81162e+01
Coefficient B4.75062e+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.499.09
Temperature range, max.693.76
η 0.0001845 Pa×s 499.09 Calculated Property
η 0.0001243 Pa×s 520.72 Calculated Property
η 0.0000864 Pa×s 542.35 Calculated Property
η 0.0000617 Pa×s 563.98 Calculated Property
η 0.0000452 Pa×s 585.61 Calculated Property
η 0.0000339 Pa×s 607.24 Calculated Property
η 0.0000259 Pa×s 628.87 Calculated Property
η 0.0000201 Pa×s 650.50 Calculated Property
η 0.0000159 Pa×s 672.13 Calculated Property
η 0.0000128 Pa×s 693.76 Calculated Property

Similar Compounds

(E)-1-(4-Hydroxy-3-methoxyphenyl)tetradec-3-en-5-one. (E)-1-(4-Hydroxy-3-methoxyphenyl)hexadec-3-en-5-one. (E)-1-(4-Hydroxy-3-methoxyphenyl)dodec-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. 1-(4-Hydroxy-3-methoxyphenyl)dodec-4-en-3-one. (E)-1-(4-Hydroxy-3-methoxyphenyl)hexadec-4-en-3-one. 1-(4-Hydroxy-3-methoxyphenyl)dec-4-en-3-one. (E)-1-(3,4-Dimethoxyphenyl)dec-4-en-3-one. (E)-1-(3,4-Dimethoxyphenyl)dodec-4-en-3-one. (E)-1-(3,4-Dimethoxyphenyl)tetradec-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)dec-3-en-5-one.

Sources

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