Chemical Properties of Halfenprox (CAS 111872-58-3)

InChI

InChI=1S/C24H23BrF2O3/c1-23(2,19-11-13-21(14-12-19)30-24(25,26)27)17-28-16-18-7-6-10-22(15-18)29-20-8-4-3-5-9-20/h3-15H,16-17H2,1-2H3

InChI Key

WIFXJBMOTMKRMM-UHFFFAOYSA-N

Formula

C24H23BrF2O3

SMILES

CC(C)(COCc1cccc(Oc2ccccc2)c1)c1ccc(OC(F)(F)Br)cc1

Molecular Weight¹

477.34

CAS

111872-58-3

Other Names

• Benzene, 1-[[2-[4-(bromodifluoromethoxy)phenyl]-2-methylpropoxy]methyl]-3-phenoxy-

• 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).
• 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
ΔfG°	-215.45	kJ/mol	Joback Calculated Property
ΔfH°gas	-632.09	kJ/mol	Joback Calculated Property
ΔfusH°	39.44	kJ/mol	Joback Calculated Property
ΔvapH°	86.61	kJ/mol	Joback Calculated Property
log10WS	-7.89		Crippen Calculated Property
logPoct/wat	7.297		Crippen Calculated Property
McVol	316.390	ml/mol	McGowan Calculated Property
Pc	1487.29	kPa	Joback Calculated Property
Inp	[2841.00; 2841.00]
Inp	2841.00		NIST
Inp	2841.00		NIST
Tboil	964.02	K	Joback Calculated Property
Tc	1208.87	K	Joback Calculated Property
Tfus	597.05	K	Joback Calculated Property
Vc	1.185	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[965.59; 1030.18]	J/mol×K	[964.02; 1208.87]
Cp,gas	965.59	J/mol×K	964.02	Joback Calculated Property
Cp,gas	979.02	J/mol×K	1004.83	Joback Calculated Property
Cp,gas	991.22	J/mol×K	1045.64	Joback Calculated Property
Cp,gas	1002.29	J/mol×K	1086.44	Joback Calculated Property
Cp,gas	1012.39	J/mol×K	1127.25	Joback Calculated Property
Cp,gas	1021.64	J/mol×K	1168.06	Joback Calculated Property
Cp,gas	1030.18	J/mol×K	1208.87	Joback Calculated Property

Similar Compounds

Find more compounds similar to Halfenprox.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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