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

• 3H-Pyrazol-3-one, 1,2-dihydro-1,5-dimethyl-4-(1-methylethyl)-2-phenyl-
• Antipyrine, 4-isopropyl-
• 2,3-Dimethyl-4-isopropyl-1-phenyl-3H-pyrazolin-5-one
• Isopropylantipyrin
• Isopropylantipyrine
• 4-Isopropylantipyrine
• 4-Isopropyl-2,3-dimethyl-1-phenyl-3-pyrazolin-5-one
• Isopropylphenazone
• Larodon
• 1-Phenyl-2,3-dimethyl-4-isopropyl-3-pyrazolin-5-one
• 1-Phenyl-2,3-dimethyl-4-isopropylpyrazol-5-one
• 3-Pyrazolin-5-one, 2,3-dimethyl-4-isopropyl-1-phenyl-
• 3-Pyrazolin-5-one, 4-isopropyl-2,3-dimethyl-1-phenyl-
• Isopropyrine
• 4-Isopropylphenazone
• Budirol
• Causyth
• Cibalgina
• Eufibron
• Isopropchin

• ω : Acentric Factor.
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (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).
• I_np : Non-polar retention indices.
• 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

Property	Value	Unit	Source
ω	0.5876		Relay (... Calculated Property
ΔfG°	229.18	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	6.42	kJ/mol	Relay (... Calculated Property
ΔvapH°	87.22	kJ/mol	Relay (... Calculated Property
IE	7.67	eV	Relay (... Calculated Property
log10WS	-1.33		Relay (... Calculated Property
logPoct/wat	2.608		Crippen Calculated Property
McVol	190.730	ml/mol	McGowan Calculated Property
Pc	2113.32	kPa	Relay (... 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
Tboil	606.72	K	Relay (... Calculated Property
Tc	861.25	K	Relay (... Calculated Property
Tfus	388.15	K	Relay (... Calculated Property
Vc	0.713	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to Propyphenazone.

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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