Chemical Properties of Anthralin, O,O',O''-tri(trifluoroacetyl)-

Anthralin, O,O',O''-tri(trifluoroacetyl)-

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InChI
InChI=1S/C20H7F9O6/c21-18(22,23)15(30)33-10-5-1-3-8-7-9-4-2-6-11(34-16(31)19(24,25)26)13(9)14(12(8)10)35-17(32)20(27,28)29/h1-7H
InChI Key
CEUXARQAGXSIAX-UHFFFAOYSA-N
Formula
C20H7F9O6
SMILES
O=C(Oc1cccc2cc3cccc(OC(=O)C(F)(F)F)c3c(OC(=O)C(F)(F)F)c21)C(F)(F)F
Molecular Weight1
514.25
Sources

Physical Properties

Property Value Unit Source
Δf -2041.82 kJ/mol Joback Calculated Property
Δfgas -2408.98 kJ/mol Joback Calculated Property
Δfus 47.92 kJ/mol Joback Calculated Property
Δvap 84.55 kJ/mol Joback Calculated Property
logPoct/wat 5.40 Crippen Calculated Property
Pc 1494.19 kPa Joback Calculated Property
Tboil 954.17 K Joback Calculated Property
Tc 1170.53 K Joback Calculated Property
Tfus 686.11 K Joback Calculated Property
Vc 1.09 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 819.45 J/mol×K 954.17 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 3
-F 9
=CH- (ring) 7
=C< (ring) 7
>C< 3
>C=O (nonring) 3

Similar Compounds

Anthralin, O,O',O''-tri(acetyl)-. Anthracene, 1,8-diacetoxy-9-hydroxy-. Anthracene, 1-acetoxy-8,9-dihydroxy-. Anthralin, O,O',O''-tri(pentafluoropropionyl)-. Trifluoroacetic acid, 2-naphthyl ester. 1,2-Dimethoxy-3-acetoacetylnaphthalene. 4-O-Acetylthebaol. 4,6-Diacetoxy-3-methoxyphenanthrene. 1-Naphthyl acetate. 1,2-Naphthalenediol, diacetate. Orcinol, bis(trifluoroacetate). Pyrogallol, tris(trifluoroacetate). 1-Naphthyl butyrate. Resorcinol, bis(chlorodifluoroacetate). 2,6-Dimethoxyphenol, trifluoroacetate.

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