Predicted properties of the compound entered.

ID QIXCFYBOOIDYCT-UHFFFAOYSA-N
Formula C14H9F3O3
IUPAC Name 3-[4-(trifluoromethyl)phenoxy]benzoic acid
SMILES
Standard InChI
Standard InChIKey
Cite this record
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Other Names and Identifiers
Standard InChI (User Input) InChI=1S/C14H9F3O3/c15-14(16,17)10-4-6-11(7-5-10)20-12-3-1-2-9(8-12)13(18)19/h1-8H,(H,18,19)
Standard InChIKey (User Input) InChIKey=QIXCFYBOOIDYCT-UHFFFAOYSA-N
Non-Standard InChI
Non-Standard InChIKey
Other Names and Identifiers 3-[4-(trifluoromethyl)phenoxy]benzoic acid | 3-(4-Trifluoromethyl-phenoxy)-benzoic acid | 3PBD-Q07-0
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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 -
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HSQC/HMBC prediction -
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