Chemical Properties of Fluvalinate (CAS 69409-94-5)

InChI

InChI=1S/C26H22ClF3N2O3/c1-16(2)24(32-22-12-11-18(14-21(22)27)26(28,29)30)25(33)35-23(15-31)17-7-6-10-20(13-17)34-19-8-4-3-5-9-19/h3-14,16,23-24,32H,1-2H3

InChI Key

INISTDXBRIBGOC-UHFFFAOYSA-N

Formula

C26H22ClF3N2O3

SMILES

CC(C)C(Nc1ccc(C(F)(F)F)cc1Cl)C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1

Molecular Weight¹

502.91

CAS

69409-94-5

Other Names

• Apistan
• DL-Valine, N-[2-chloro-4-(trifluoromethyl)phenyl]-, cyano(3-phenoxyphenyl)methyl ester
• Fluvalinate, isomer 1
• Fluvalinate, isomer 2
• Kartan
• Mavrik
• Mavrik aquaflow
• Minadox
• Valine, N-[2-chloro-4-(trifluoromethyl)phenyl]-, cyano(3-phenoxyphenyl)methyl ester
• ZR 3210
• [cyano-[3-(phenoxy)phenyl]methyl] 2-[[2-chloro-4-(trifluoromethyl)phenyl]amino]-3-methylbutanoate

• 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°	-240.81	kJ/mol	Joback Calculated Property
ΔfH°gas	-692.12	kJ/mol	Joback Calculated Property
ΔfusH°	50.09	kJ/mol	Joback Calculated Property
ΔvapH°	110.24	kJ/mol	Joback Calculated Property
log10WS	[-8.00; -8.00]
log10WS	-8.00		Aq. Sol...
log10WS	-8.00		Estimat...
logPoct/wat	7.396		Crippen Calculated Property
McVol	348.140	ml/mol	McGowan Calculated Property
Pc	1207.31	kPa	Joback Calculated Property
Inp	[2964.00; 2976.00]
Inp	2964.00		NIST
Inp	2966.00		NIST
Inp	2973.00		NIST
Inp	2976.00		NIST
Tboil	1170.91	K	Joback Calculated Property
Tc	1434.20	K	Joback Calculated Property
Tfus	700.75	K	Joback Calculated Property
Vc	1.345	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1111.17; 1144.01]	J/mol×K	[1170.91; 1434.20]
Cp,gas	1111.17	J/mol×K	1170.91	Joback Calculated Property
Cp,gas	1118.91	J/mol×K	1214.79	Joback Calculated Property
Cp,gas	1125.54	J/mol×K	1258.67	Joback Calculated Property
Cp,gas	1131.23	J/mol×K	1302.56	Joback Calculated Property
Cp,gas	1136.11	J/mol×K	1346.44	Joback Calculated Property
Cp,gas	1140.32	J/mol×K	1390.32	Joback Calculated Property
Cp,gas	1144.01	J/mol×K	1434.20	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fluvalinate.

Sources

• Crippen Method
• Joback Method
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook

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