Chemical Properties of 1-(4-hydroxy-3-methoxyphenyl)tetradec-1-ene-3,5-dione (CAS 136826-50-1)

1-(4-hydroxy-3-methoxyphenyl)tetradec-1-ene-3,5-dione

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InChI
InChI=1S/C21H30O4/c1-3-4-5-6-7-8-9-10-18(22)16-19(23)13-11-17-12-14-20(24)21(15-17)25-2/h11-15,24H,3-10,16H2,1-2H3/b13-11+
InChI Key
QJDGTTCAEQPSJA-ACCUITESSA-N
Formula
C21H30O4
SMILES
CCCCCCCCCC(=O)CC(=O)C=Cc1ccc(O)c(OC)c1
Molecular Weight1
346.46
CAS
136826-50-1
Sources

Physical Properties

Property Value Unit Source
Δf -208.52 kJ/mol Joback Calculated Property
Δfgas -669.18 kJ/mol Joback Calculated Property
Δfus 54.17 kJ/mol Joback Calculated Property
Δvap 94.15 kJ/mol Joback Calculated Property
logPoct/wat 5.08 Crippen Calculated Property
Pc 1470.23 kPa Joback Calculated Property
Tboil 926.48 K Joback Calculated Property
Tc 1141.95 K Joback Calculated Property
Tfus 594.10 K Joback Calculated Property
Vc 1.08 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 938.18 J/mol×K 926.48 Joback Calculated Property
η 0.00 Pa×s 926.48 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
-CH3 2
=CH- (ring) 3
=C< (ring) 3
-CH2- 9
=CH- 2
>C=O (nonring) 2
-OH (phenol) 1

Similar Compounds

1-(4-Hydroxy-3-methoxyphenyl)dodec-1-ene-3,5-dione. 3-Buten-2-one, 4-(4-hydroxy-3-methoxyphenyl)-. 3,4-Dimethoxybenzylideneacetone. 2-Propenal, 3-(4-hydroxy-3-methoxyphenyl)-. 3-(3,4-dimethoxyphenyl)-2-propenal. (E)-1-(3,4-dimethoxyphenyl)but-1-ene. 3,4-Methylenedioxybenzylidene acetone. 2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-. trans-Ferulic acid. 2-Propenoic acid, 3-(3,4-dimethoxyphenyl)-, (E)-. 3,4-Dimethoxycinnamic acid. (Z)-3,4-Dimethoxycinnamic acid. trans-Isoeugenol. Phenol, 2-methoxy-4-(1-propenyl)-. Phenol, 2-methoxy-4-(1-propenyl)-, (Z)-.

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