Chemical Properties of Phthalazin-1-one (CAS 119-39-1)

InChI

InChI=1S/C8H6N2O/c11-8-7-4-2-1-3-6(7)5-9-10-8/h1-5H,(H,10,11)

InChI Key

IJAPPYDYQCXOEF-UHFFFAOYSA-N

Formula

C8H6N2O

SMILES

Oc1nncc2ccccc12

Molecular Weight¹

146.15

CAS

119-39-1

Other Names

• 1(2H)-phthalazinone
• 1-Phthalazinol
• Phthalazinone
• Phthalazone
• phthalazin-1(2H)-one

• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_subH° : Enthalpy of sublimation at standard conditions (kJ/mol).
• Δ_subH : Enthalpy of sublimation at a given temperature (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• ρ_s : Solid Density (kg/m³).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Similar Compounds

Find more compounds similar to Phthalazin-1-one.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Experimental study on the thermochemistry of 1-(2H)-phthalazinone and phthalhydrazide
• McGowan Method
• NIST Webbook

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