Chemical Properties of (E)-1-(4-Hydroxy-3-methoxyphenyl)tetradec-3-en-5-one (CAS 1278586-98-3)

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

InChI
InChI=1S/C21H32O3/c1-3-4-5-6-7-8-9-13-19(22)14-11-10-12-18-15-16-20(23)21(17-18)24-2/h11,14-17,23H,3-10,12-13H2,1-2H3/b14-11+
InChI Key
ICGMHNGYISGRQK-SDNWHVSQSA-N
Formula
C21H32O3
SMILES
CCCCCCCCCC(=O)C=CCCc1ccc(O)c(OC)c1
Molecular Weight1
332.48
CAS
1278586-98-3
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Physical Properties

Property Value Unit Source
ΔfusH° 52.57 kJ/mol Joback Calculated Property
ΔvapH° 119.36 kJ/mol Relay (1.0) Calculated Property
log10WS -5.37 Relay (1.0) Calculated Property
logPoct/wat 5.599 Crippen Calculated Property
McVol 292.000 ml/mol McGowan Calculated Property
Inp [2652.80; 2652.80]   Show Hide
Inp 2652.80 NIST
Inp 2652.80 NIST
Tboil 632.41 K Relay (1.0) Calculated Property
Tfus 337.72 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 [415.48; 980.53] 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-2.60500e+01
Coefficient B1.94384e+00
Coefficient C-1.29322e-03
Coefficient D3.55960e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 415.48 J/mol×K 273.00 Calculated Property
Cp,gas 515.54 J/mol×K 353.78 Calculated Property
Cp,gas 603.66 J/mol×K 434.56 Calculated Property
Cp,gas 680.95 J/mol×K 515.33 Calculated Property
Cp,gas 748.55 J/mol×K 596.11 Calculated Property
Cp,gas 807.58 J/mol×K 676.89 Calculated Property
Cp,gas 859.17 J/mol×K 757.67 Calculated Property
Cp,gas 904.44 J/mol×K 838.44 Calculated Property
Cp,gas 944.52 J/mol×K 919.22 Calculated Property
Cp,gas 980.53 J/mol×K 1000.00 Calculated Property
Property Value Unit Temperature (K) Source
η [0.0000909; 0.0000065] Pa×s [544.17; 756.03] 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-1.87274e+01
Coefficient B5.12726e+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.544.17
Temperature range, max.756.03
η 0.0000909 Pa×s 544.17 Calculated Property
η 0.0000615 Pa×s 567.71 Calculated Property
η 0.0000429 Pa×s 591.25 Calculated Property
η 0.0000308 Pa×s 614.79 Calculated Property
η 0.0000227 Pa×s 638.33 Calculated Property
η 0.0000170 Pa×s 661.87 Calculated Property
η 0.0000130 Pa×s 685.41 Calculated Property
η 0.0000102 Pa×s 708.95 Calculated Property
η 0.0000081 Pa×s 732.49 Calculated Property
η 0.0000065 Pa×s 756.03 Calculated Property

Similar Compounds

(E)-1-(4-Hydroxy-3-methoxyphenyl)hexadec-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. (Z)-1,7-bis(4-Hydroxy-3-methoxyphenyl)hept-4-en-3-one. (E)-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)dodec-4-en-3-one. (E)-1-(3,4-Dimethoxyphenyl)tetradec-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)dodecane-3,5-dione. 1-(4-Hydroxy-3-methoxyphenyl)hexadecane-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)tetradec-3-en-5-one.

Sources

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