Chemical Properties of killarniensolide, acetylated

killarniensolide, acetylated

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InChI
InChI=1S/C20H20O7/c1-11(21)26-15-10-18(25-4)17(24-3)9-12(15)8-16-13-6-5-7-14(23-2)19(13)20(22)27-16/h5-7,9-10,16H,8H2,1-4H3
InChI Key
ABGLNBXETPHZGG-UHFFFAOYSA-N
Formula
C20H20O7
SMILES
COc1cc(CC2OC(=O)c3c(OC)cccc32)c(OC(C)=O)cc1OC
Molecular Weight1
372.37
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Physical Properties

Property Value Unit Source
Δf -402.69 kJ/mol Joback Calculated Property
Δfgas -878.78 kJ/mol Joback Calculated Property
Δfus 45.67 kJ/mol Joback Calculated Property
Δvap 93.03 kJ/mol Joback Calculated Property
log10WS -4.74 Crippen Calculated Property
logPoct/wat 3.092 Crippen Calculated Property
McVol 266.770 ml/mol McGowan Calculated Property
Pc 1736.11 kPa Joback Calculated Property
Inp [2806.00; 2806.00]   Show Hide
Inp 2806.00 NIST
Inp 2806.00 NIST
Tboil 980.32 K Joback Calculated Property
Tc 1218.40 K Joback Calculated Property
Tfus 682.18 K Joback Calculated Property
Vc 1.002 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [854.70; 891.18] J/mol×K [980.32; 1218.40] Show Hide
Cp,gas 854.70 J/mol×K 980.32 Joback Calculated Property
Cp,gas 865.53 J/mol×K 1020.00 Joback Calculated Property
Cp,gas 874.52 J/mol×K 1059.68 Joback Calculated Property
Cp,gas 881.61 J/mol×K 1099.36 Joback Calculated Property
Cp,gas 886.78 J/mol×K 1139.04 Joback Calculated Property
Cp,gas 889.98 J/mol×K 1178.72 Joback Calculated Property
Cp,gas 891.18 J/mol×K 1218.40 Joback Calculated Property

Similar Compounds

killarniensolide. N-Acetylnornarcotine. 1-Alpha-2-methyl-8-methoxy-6,7-methylenedioxy-1-(6,7-dimethoxy-3-phthalidyl)-1,2,3,4-tetrahydroisoquinoline. Tazettine. Hydrastine. cis-1,2-Tetralinediol, ferrocenylboronate. 1,2,3,4-Tetrahydroanthracene-cis-1,2-diol, ferrocenylboronate. Noscapine. 1H-pyrazolo[3,4-d]pyrimidine, 4-(methylthio)-1-beta-d-ribofuranosyl-, 2',3',5'-tribenzoate. Butorphanol di-TMS derivative. risperidone. Acenaphthene-cis-1,2-diol, 2-(N,N-dimethylaminomethyl)-ferroceneboronate. TCN. QUINIDINE, M(HO-), AC. Nalmefene, trimethylsilyl ether.

Find more compounds similar to killarniensolide, acetylated.

Sources

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