Chemical Properties of ETOXAZOLE (CAS 153233-91-1)

InChI

InChI=1S/C21H23F2NO2/c1-5-25-18-11-13(21(2,3)4)9-10-14(18)17-12-26-20(24-17)19-15(22)7-6-8-16(19)23/h6-11,17H,5,12H2,1-4H3

InChI Key

IXSZQYVWNJNRAL-UHFFFAOYSA-N

Formula

C21H23F2NO2

SMILES

CCOc1cc(C(C)(C)C)ccc1C1COC(c2c(F)cccc2F)=N1

Molecular Weight¹

359.41

CAS

153233-91-1

Other Names

• Oxazole, 2-(2,6-difluorophenyl)-4-[4-(1,1-dimethylethyl)-2-ethoxyphenyl]-4,5-dihydro-
• 2-(2,6-difluorophenyl)-4-[4-(1,1-dimethylethyl)-2-ethoxyphenyl]-4,5-dihydrooxazole

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion 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

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[862.87; 938.51]	J/mol×K	[870.96; 1106.23]
Cp,gas	862.87	J/mol×K	870.96	Joback Calculated Property
Cp,gas	879.18	J/mol×K	910.17	Joback Calculated Property
Cp,gas	893.92	J/mol×K	949.38	Joback Calculated Property
Cp,gas	907.17	J/mol×K	988.59	Joback Calculated Property
Cp,gas	918.98	J/mol×K	1027.80	Joback Calculated Property
Cp,gas	929.40	J/mol×K	1067.02	Joback Calculated Property
Cp,gas	938.51	J/mol×K	1106.23	Joback Calculated Property

Similar Compounds

Find more compounds similar to ETOXAZOLE.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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