Chemical Properties of 4-O-Acetylthebaol

4-O-Acetylthebaol

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InChI
InChI=1S/C18H16O4/c1-11(19)22-18-16(21-3)9-7-13-5-4-12-6-8-14(20-2)10-15(12)17(13)18/h4-10H,1-3H3
InChI Key
RIUJHBDYSWDQNC-UHFFFAOYSA-N
Formula
C18H16O4
SMILES
COc1ccc2ccc3ccc(OC)c(OC(C)=O)c3c2c1
Molecular Weight1
296.32
Sources

Physical Properties

Property Value Unit Source
Δf -56.05 kJ/mol Joback Calculated Property
Δfgas -351.30 kJ/mol Joback Calculated Property
Δfus 34.06 kJ/mol Joback Calculated Property
Δvap 77.84 kJ/mol Joback Calculated Property
logPoct/wat 3.94 Crippen Calculated Property
Pc 2117.78 kPa Joback Calculated Property
Tboil 816.93 K Joback Calculated Property
Tc 1048.62 K Joback Calculated Property
Tfus 551.14 K Joback Calculated Property
Vc 0.84 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 625.11 J/mol×K 816.93 Joback Calculated Property
η 0.00 Pa×s 816.93 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 3
=C< (ring) 7
>C=O (nonring) 1
-CH3 3
=CH- (ring) 7

Similar Compounds

4,6-Diacetoxy-3-methoxyphenanthrene. 1,2-Naphthalenediol, diacetate. 1,2-Dimethoxy-3-acetoacetylnaphthalene. 2,3-Naphthalenediol diacetate. Anthracene, 1,8-diacetoxy-9-hydroxy-. Anthracene, 1-acetoxy-8,9-dihydroxy-. Anthralin, O,O',O''-tri(acetyl)-. Propranolol hydroxy - H2O, isomer I, acetylated. 1-Naphthyl acetate. 3,6-Dimethoxy-4-phenanthrol. 1,2,3-trimethoxy-naphthalene. Phenol, 2-methoxy-, acetate. Anthralin, O,O',O''-tri(trifluoroacetyl)-. 4-Acetyloxy-3,6-dimethoxy-8-[2-(N-methyl-acetamido)]ethylphenanthrene. Pyrocatechol diacetate.

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