Chemical Properties of 4,5-dihydroxy-3-methoxy-9,10-dihydrophenanthrene, acetylated

4,5-dihydroxy-3-methoxy-9,10-dihydrophenanthrene, acetylated

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InChI
InChI=1S/C19H18O5/c1-11(20)23-15-6-4-5-13-7-8-14-9-10-16(22-3)19(24-12(2)21)18(14)17(13)15/h4-6,9-10H,7-8H2,1-3H3
InChI Key
FCNFMJSSXLYNNN-UHFFFAOYSA-N
Formula
C19H18O5
SMILES
COc1ccc2c(c1OC(C)=O)-c1c(cccc1OC(C)=O)CC2
Molecular Weight1
326.34
Sources

Physical Properties

Property Value Unit Source
Δf -206.51 kJ/mol Joback Calculated Property
Δfgas -542.30 kJ/mol Joback Calculated Property
Δfus 37.03 kJ/mol Joback Calculated Property
Δvap 86.52 kJ/mol Joback Calculated Property
logPoct/wat 3.31 Crippen Calculated Property
Pc 1989.43 kPa Joback Calculated Property
Tboil 894.52 K Joback Calculated Property
Tc 1127.33 K Joback Calculated Property
Tfus 611.58 K Joback Calculated Property
Vc 0.92 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 720.09 J/mol×K 894.52 Joback Calculated Property
η 0.00 Pa×s 894.52 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 3
-CH3 3
=CH- (ring) 5
=C< (ring) 7
>C=O (nonring) 2
-CH2- (ring) 2

Similar Compounds

2-hydroxy-3,5-dimethoxy-9,10-dihydrophenanthrene, acetylated. 2-hydroxy-3,5-dimethoxy-9,10-dihydrophenanthrene. cis-Phenanthrene, 9,10-dihydro-9-methyl-9,10-diol, 3,4-dimethoxy. Isocorydine. (R)-1,2-Dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline. N-Methyllaurotetanine. Actinodaphnine. cis-Phenanthrene, 9,10-dihydro-9-methyl-9,10-diol, 3,4-dimethoxy, bis-TMS. (R)-1-Methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-2-ol. cis-Phenanthrene, 9,10-dihydro-9-methyl-9,10-diol, 3,4-dimethoxy, methylboronate. (+)-Roemerine. cis-Phenanthrene, 9,10-dihydro-9-methyl-9,10-diol, 3,4-dimethoxy, diacetate. cis-Phenanthrene, 9,10-dihydro-9-methyl-9,10-diol, 3,4-dimethoxy, butylboronate. Cannabinol. (.+/-.)-Isoboldine.

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