Chemical Properties of Miconazole (CAS 22916-47-8)

InChI

InChI=1S/C18H14Cl4N2O/c19-13-2-1-12(16(21)7-13)10-25-18(9-24-6-5-23-11-24)15-4-3-14(20)8-17(15)22/h1-8,11,18H,9-10H2

InChI Key

BYBLEWFAAKGYCD-UHFFFAOYSA-N

Formula

C18H14Cl4N2O

SMILES

Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1

Molecular Weight¹

416.13

CAS

22916-47-8

Other Names

• 1-[2,4-Dichloro-«beta»-[(2,4-dichlorobenzyl)oxy]phenethyl]imidazole
• 1-[2,4-Dichloro-«beta»-[(2,4-dichlorobenzyl)oxy]phenethyl]imidazole
• 1-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazole
• 1H-Imidazole, 1-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-
• Daktarin IV
• Imidazole, 1-(2,4-dichloro-«beta»-((2,4-dichlorobenzyl)oxy)phenethyl)-
• Imidazole, 1-(2,4-dichloro-«beta»-((2,4-dichlorobenzyl)oxy)phenethyl)-
• Imidazole, 1-(2-(2,4-dichlorophenyl)-2-((2,4-dichlorophenyl)methoxy)ethyl)-
• MJR 1762
• Minostate
• Monistat
• Monistat IV
• NSC 170986
• R 18134

• 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	0.7405		Relay (1.0) Calculated Property
ΔfG°	240.69	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	41.70	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	142.79	kJ/mol	Relay (1.0) Calculated Property
IE	8.44	eV	Relay (1.0) Calculated Property
log10WS	-3.73		Aq. Solubility Prediction
logPoct/wat	6.455		Crippen Calculated Property
McVol	272.290	ml/mol	McGowan Calculated Property
Pc	2050.84	kPa	Relay (1.0-beta) Calculated Property
Inp	[2962.00; 2980.00]
Inp	2962.00		NIST
Inp	2980.00		NIST
Inp	2980.00		NIST
Inp	2980.00		NIST
Tboil	693.74	K	Relay (1.0) Calculated Property
Tc	1027.37	K	Relay (1.0) Calculated Property
Tfus	365.49	K	Relay (1.0) Calculated Property
Vc	0.976	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Miconazole.

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
• Aqueous Solubility Prediction Method
• McGowan Method
• NIST Webbook

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