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Predicted properties of the compound entered.

ID ABJXYWAUSKLUMM-RKCOZNTMSA-N
Formula C21H21NO2
IUPAC Name (3R,4E)-4-methylnon-4-en-1,8-diyn-3-yl (2S)-2-(4-cyanophenyl)butanoate
SMILES
Standard InChI
Standard InChIKey
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Other Names and Identifiers
Standard InChI (User Input) InChI=1S/C21H21NO2/c1-5-8-9-10-16(4)20(7-3)24-21(23)19(6-2)18-13-11-17(15-22)12-14-18/h1,3,10-14,19-20H,6,8-9H2,2,4H3/b16-10+/t19-,20+/m0/s1
Standard InChIKey (User Input) InChIKey=ABJXYWAUSKLUMM-RKCOZNTMSA-N
Non-Standard InChI
Non-Standard InChIKey
Other Names and Identifiers
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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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