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Predicted properties of the compound entered.

ID AAFMEUUZRXLGAY-UHFFFAOYSA-N
Formula C13H8O2
IUPAC Name 3-(naphthalen-1-yl)prop-2-ynoic acid
SMILES
Standard InChI
Standard InChIKey
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Other Names and Identifiers
Standard InChI (User Input) InChI=1S/C13H8O2/c14-13(15)9-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7H,(H,14,15)
Standard InChIKey (User Input) InChIKey=AAFMEUUZRXLGAY-UHFFFAOYSA-N
Non-Standard InChI
Non-Standard InChIKey
Other Names and Identifiers 3-naphthalen-1-ylprop-2-ynoic acid | 3-(1-naphthyl)prop-2-ynoic acid | 3-(1-naphthyl)propiolic acid | Oprea1_670541 | CBDivE_001860 | BB_SC-2552 | SR-01000635038-1 | MLS000779155 | Naphthalen-1-yl-propynoic acid | Oprea1_703179 | SMR000415854
This prediction is based on QSPR only and is the first basic approximate estimation.
For more property data (~2,100 data sets per compound) with higher accuracy , try our new database.
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 - - -
For professional applications, try our new chemical database based on quantum mechanics - more property data (~2,100 data sets per compound) with higher accuracy.

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Additional Information Link
1H NMR prediction -
13C NMR prediction -
COSY -
HSQC/HMBC prediction -
All prediction -