Chemical Properties of 1,4-DIOXO-1,2,3,4-TETRAHYDROPHTHALAZINE

InChI

InChI=1S/C8H6N2O2/c11-7-5-3-1-2-4-6(5)8(12)10-9-7/h1-4H,(H,9,11)(H,10,12)

InChI Key

KGLPWQKSKUVKMJ-UHFFFAOYSA-N

Formula

C8H6N2O2

SMILES

O=c1[nH][nH]c(=O)c2ccccc12

Molecular Weight¹

162.15

Other Names

• Phthalhydrazide
• 1,4-Phthalazinedione, 2,3-dihydro-
• Phthalazine-1,4-dione
• Phthalazine-1,4(2H,3H)-dione
• 2,3-dihydrophthalazine-1,4-dione

• 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).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (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).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate 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 1,4-DIOXO-1,2,3,4-TETRAHYDROPHTHALAZINE.

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
• McGowan Method
• NIST Webbook

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