Chemical Properties of Propyphenazone (CAS 479-92-5)

InChI

InChI=1S/C14H18N2O/c1-10(2)13-11(3)15(4)16(14(13)17)12-8-6-5-7-9-12/h5-10H,1-4H3

InChI Key

PXWLVJLKJGVOKE-UHFFFAOYSA-N

Formula

C14H18N2O

SMILES

Cc1c(C(C)C)c(=O)n(-c2ccccc2)n1C

Molecular Weight¹

230.31

CAS

479-92-5

Other Names

• 1,5-dimethyl-2-phenyl-4-propan-2-ylpyrazol-3-one
• 1-Phenyl-2,3-dimethyl-4-isopropyl-3-pyrazolin-5-one
• 1-Phenyl-2,3-dimethyl-4-isopropylpyrazol-5-one
• 2,3-Dimethyl-4-isopropyl-1-phenyl-3H-pyrazolin-5-one
• 3-Pyrazolin-5-one, 2,3-dimethyl-4-isopropyl-1-phenyl-
• 3-Pyrazolin-5-one, 4-isopropyl-2,3-dimethyl-1-phenyl-
• 3H-Pyrazol-3-one, 1,2-dihydro-1,5-dimethyl-4-(1-methylethyl)-2-phenyl-
• 4-ISOPROPYL-2,3-DIMETHYL-1-PHENYL-3-PYRAZOLIN-5-ONE
• 4-Isopropylphenazone
• 4-isopropyl-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
• 4-isopropylantipyrine
• Antipyrine, 4-isopropyl-
• Budirol
• Causyth
• Cibalgina
• Eufibron
• Isopropchin
• Isopropylphenazone
• Isopropyrine
• Larodon
• isopropylantipyrin
• isopropylantipyrine

• 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).
• I_np : Non-polar retention indices.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
IE	7.67	eV	Relay (1.0) Calculated Property
log10WS	-1.91		Aq. Solubility Prediction
logPoct/wat	2.608		Crippen Calculated Property
McVol	190.730	ml/mol	McGowan Calculated Property
Inp	[1917.00; 1925.00]
Inp	1925.00		NIST
Inp	1917.00		NIST
Inp	1925.00		NIST
Inp	1925.00		NIST
Inp	1917.00		NIST
Tfus	376.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, 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.

Similar Compounds

Find more compounds similar to Propyphenazone.

Mixtures

• Carbon dioxide + Propyphenazone

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• 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
• An association model for the solubilities of pharmaceuticals in supercritical carbon dioxide
• Aqueous Solubility Prediction Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
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