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Predicted properties of the compound entered.

ID QJXCFMJTJYCLFG-UHFFFAOYSA-N
Formula C7HF5O
IUPAC Name 2,3,4,5,6-pentafluorobenzaldehyde
SMILES
Standard InChI
Standard InChIKey
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Other Names and Identifiers
Standard InChI (User Input) InChI=1S/C7HF5O/c8-3-2(1-13)4(9)6(11)7(12)5(3)10/h1H
Standard InChIKey (User Input) InChIKey=QJXCFMJTJYCLFG-UHFFFAOYSA-N
Non-Standard InChI
Non-Standard InChIKey
Other Names and Identifiers 2,3,4,5,6-Pentafluorobenzaldehyde | 653-37-2 | Pentafluorobenzaldehyde | NSC96967 | Benzaldehyde, pentafluoro- | NSC 96967 | 103748_ALDRICH | P131 | 76690_FLUKA | ZINC01627094 | Benzaldehyde, 2,3,4,5,6-pentafluoro- | Benzaldehyde, pentafluoro- (8CI)(9CI) | EINECS 211-502-6 | ST5308060
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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 -
COSY -
HSQC/HMBC prediction -
All prediction -