Chemical Properties of 3,5-Heptanedione, 1,7-bis(4-hydroxy-3-methoxyphenyl)- (CAS 36062-04-1)

3,5-Heptanedione, 1,7-bis(4-hydroxy-3-methoxyphenyl)-

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InChI
InChI=1S/C21H24O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h5-6,9-12,24-25H,3-4,7-8,13H2,1-2H3
InChI Key
LBTVHXHERHESKG-UHFFFAOYSA-N
Formula
C21H24O6
SMILES
COc1cc(CCC(=O)CC(=O)CCc2ccc(O)c(OC)c2)ccc1O
Molecular Weight1
372.41
CAS
36062-04-1
Other Names
  • 1,7-bis(4-Hydroxy-3-methoxyphenyl)heptane-3,5-dione
  • Tetrahydrocurcumin
  • Tetrahydrodiferuloylmethane
Sources

Physical Properties

Property Value Unit Source
Δf -445.58 kJ/mol Joback Calculated Property
Δfgas -870.87 kJ/mol Joback Calculated Property
Δfus 54.59 kJ/mol Joback Calculated Property
Δvap 112.56 kJ/mol Joback Calculated Property
logPoct/wat 3.21 Crippen Calculated Property
Pc 2043.76 kPa Joback Calculated Property
Tboil 1057.02 K Joback Calculated Property
Tc 1301.28 K Joback Calculated Property
Tfus 772.07 K Joback Calculated Property
Vc 0.98 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 940.89 J/mol×K 1057.02 Joback Calculated Property
η 0.00 Pa×s 1057.02 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 2
-CH3 2
=CH- (ring) 6
=C< (ring) 6
-CH2- 5
>C=O (nonring) 2
-OH (phenol) 2

Similar Compounds

1-(4-Hydroxy-3-methoxyphenyl)hexadecane-3,5-dione. 1-(4-Hydroxy-3-methoxyphenyl)dodecane-3,5-dione. 1-(4-Hydroxy-3-methoxyphenyl)tetradecan-3-one. 3-Decanone, 1-(4-hydroxy-3-methoxyphenyl)-. 1-(4-Hydroxy-3-methoxyphenyl)dodecan-3-one. 1-(3,4-Dimethoxyphenyl)heptan-3-one. 1-(3,4-Dimethoxyphenyl)decan-3-one. 1-(3,4-Dimethoxyphenyl)hexan-3-one. Zingerone. 2-Butanone, 4-(4-hydroxy-3-methoxyphenyl)-. 1-(3,4-Dimethoxyphenyl)pentan-3-one. Gingerol. Methyl zingerone. Propanal, 3-(4-hydroxy-3-methoxyphenyl). 1-(4-Hydroxy-3-methoxyphenyl)dec-4-en-3-one.

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