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Predicted properties of the compound entered.

ID QJLOXRHTZAFTEU-UHFFFAOYSA-N
Formula C14H18O4
IUPAC Name 2-methoxy-4-(3-oxobutyl)phenyl propanoate
SMILES
Standard InChI
Standard InChIKey
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Other Names and Identifiers
Standard InChI (User Input) InChI=1S/C14H18O4/c1-4-14(16)18-12-8-7-11(6-5-10(2)15)9-13(12)17-3/h7-9H,4-6H2,1-3H3
Standard InChIKey (User Input) InChIKey=QJLOXRHTZAFTEU-UHFFFAOYSA-N
Non-Standard InChI
Non-Standard InChIKey
Other Names and Identifiers [2-methoxy-4-(3-oxobutyl)phenyl] propanoate | propanoic acid [2-methoxy-4-(3-oxobutyl)phenyl] ester | propionic acid [4-(3-ketobutyl)-2-methoxy-phenyl] ester | 20306-19-8 | NSC40944
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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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13C NMR prediction -
COSY -
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