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Predicted properties of the compound entered.

ID ABGAHGVKLDPJCD-UHFFFAOYSA-N
Formula C62H92O14
IUPAC Name 3,4,6,7,8-pentakis(octanoyloxy)-9,10-dioxo-9,10-dihydroanthracen-2-yl octanoate
SMILES
Standard InChI
Standard InChIKey
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Other Names and Identifiers
Standard InChI (User Input) InChI=1S/C62H92O14/c1-7-13-19-25-31-37-49(63)71-47-43-45-55(61(75-53(67)41-35-29-23-17-11-5)59(47)73-51(65)39-33-27-21-15-9-3)58(70)46-44-48(72-50(64)38-32-26-20-14-8-2)60(74-52(66)40-34-28-22-16-10-4)62(56(46)57(45)69)76-54(68)42-36-30-24-18-12-6/h43-44H,7-42H2,1-6H3
Standard InChIKey (User Input) InChIKey=ABGAHGVKLDPJCD-UHFFFAOYSA-N
Non-Standard InChI
Non-Standard InChIKey
Other Names and Identifiers [2,3,5,6,7-penta(octanoyloxy)-9,10-dioxoanthracen-1-yl] octanoate | [2,3,5,6,7-penta(octanoyloxy)-9,10-dioxo-1-anthryl] octanoate | octanoic acid [9,10-dioxo-2,3,5,6,7-pentakis(1-oxooctoxy)-1-anthryl] ester | caprylic acid (2,3,5,6,7-pentacaprylyloxy-9,10-diketo-1-anthryl) ester | [2,3,5,6,7-penta(octanoyloxy)-9,10-dioxo-anthracen-1-yl] octanoate
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Property Value Unit Accuracy
Absolute Entropy of Ideal Gas at 298.15K and 1bar - - -
Acentric Factor - - -
Critical Compressibility Factor - - -
Critical Pressure - - -
Critical Temperature - - -
Critical Volume - - -
Enthalpy of Formation for Ideal Gas at 298.15K - - -
Liquid Molar Volume at 298.15K - - -
Molecular Weight - - -
Net Standard State Enthalpy of Combustion at 298.15K - - -
Normal Boiling Point - - -
Melting Point - - -
Refractive Index - - -
Solubility Parameter at 298.15K - - -
Standard State Absolute Entropy at 298.15K and 1bar - - -
Standard State Enthalpy of Formation at 298.15K and 1bar - - -
Magnetic Susceptibility - - -
Polarizability - - -
Flash Point - - -
Parachor - - -
Lower Flammability Limit Temperature - - -
Lower Flammability Limit Volume Percent - - -
Upper Flammability Limit Temperature - - -
Upper Flammability Limit Volume Percent - - -
Liquid Density at Normal Boiling Point - - -
Heat of Vaporization at 298.15K - - -
Heat of Vaporization at Normal Boiling Point - - -
Water Solubility - - -
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1H NMR prediction -
13C NMR prediction -
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