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Predicted properties of the compound entered.

ID QKMDHZQFYAODOU-UHFFFAOYSA-N
Formula C14H18O2
IUPAC Name 2,3,5-trimethyl-6-(3-methylbut-2-en-1-yl)cyclohexa-2,5-diene-1,4-dione
SMILES
Standard InChI
Standard InChIKey
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Other Names and Identifiers
Standard InChI (User Input) InChI=1S/C14H18O2/c1-8(2)6-7-12-11(5)13(15)9(3)10(4)14(12)16/h6H,7H2,1-5H3
Standard InChIKey (User Input) InChIKey=QKMDHZQFYAODOU-UHFFFAOYSA-N
Non-Standard InChI
Non-Standard InChIKey
Other Names and Identifiers 2,3,5-trimethyl-6-(3-methylbut-2-enyl)cyclohexa-2,5-diene-1,4-dione | 2,3,5-trimethyl-6-(3-methylbut-2-enyl)-1,4-benzoquinone | 2,3,5-trimethyl-6-(3-methylbut-2-enyl)-p-benzoquinone | 2134-78-3 | 2,5-Cyclohexadiene-1,4-dione, 2,3,5-trimethyl-6-(3-methyl-2-butenyl)- | NSC326230 | Tocoquinone-1 | p-Benzoquinone, 2,3,5-trimethyl-6-(3-methyl-2-butenyl)-
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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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HSQC/HMBC prediction -
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