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Predicted properties of the compound entered.

ID ABFAFNSSTWNZDX-UHFFFAOYSA-N
Formula C17H18O
IUPAC Name 3,3-dimethyl-1H,2H,3H,4H,5H-cyclohepta[b]naphthalen-1-one
SMILES
Standard InChI
Standard InChIKey
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Other Names and Identifiers
Standard InChI (User Input) InChI=1S/C17H18O/c1-17(2)8-7-14-9-12-5-3-4-6-13(12)10-15(14)16(18)11-17/h3-6,9-10H,7-8,11H2,1-2H3
Standard InChIKey (User Input) InChIKey=ABFAFNSSTWNZDX-UHFFFAOYSA-N
Non-Standard InChI
Non-Standard InChIKey
Other Names and Identifiers 8,8-dimethyl-9,10-dihydro-7H-cyclohepta[b]naphthalen-6-one | 6H-Cyclohepta[b]naphthalen-6-one, 7,8,9,10-tetrahydro-8,8-dimethyl- | 8,8-Dimethyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]naphthalen-6-one
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Mol-Instincts Database
 
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 -
COSY -
HSQC/HMBC prediction -
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