Chemical Properties of Benzeneacetic acid, 4-chloro-«alpha»-(1-methylethyl)-, cyano (3-phenoxyphenyl)methyl ester,(S-(R*,R*))- (CAS 66230-04-4)

InChI

InChI=1S/C25H22ClNO3/c1-17(2)24(18-11-13-20(26)14-12-18)25(28)30-23(16-27)19-7-6-10-22(15-19)29-21-8-4-3-5-9-21/h3-15,17,23-24H,1-2H3/t23-,24-/m0/s1

InChI Key

NYPJDWWKZLNGGM-ZEQRLZLVSA-N

Formula

C25H22ClNO3

SMILES

CC(C)C(C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1)c1ccc(Cl)cc1

Molecular Weight¹

419.90

CAS

66230-04-4

Other Names

• Asana
• Asana XL
• (S)-«alpha»-Cyano-3-phenoxybenzyl(S)-2-(4-chlorophenyl)-3-methylbutyrate
• Esfenvalerate
• Fenvalerate «alpha»
• Fenvalerate A «alpha»
• Halmark
• OMS 3023
• S 1844
• S 5602 A «alpha»
• Sumi-alfa
• Sumi-«alpha»
• Sumicidin A «alpha»
• (S)-alpha-Cyano-3-phenoxybenzyl(S)-2-(4-chlorophenyl)isovalerate
• Benzeneacetic acid, 4-chloro-«alpha»-(1-methylethyl)-, (S)-cyano(3-phenoxyphenyl)methyl ester, («alpha»S)-
• [S-(R*,R*)]-cyano(3-phenoxyphenyl)methyl -4-chloro-2-(1-methylethyl)benzeneacetate
• esfenvalerate; (S)-.alpha.-cyano-3-phenoxybenzyl-(S)-2-(4-chlorophenyl)-3-methylbutyrate

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion 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).
• I_np : Non-polar retention indices.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[980.98; 1012.27]	J/mol×K	[1080.43; 1339.82]
Cp,gas	980.98	J/mol×K	1080.43	Joback Calculated Property
Cp,gas	989.67	J/mol×K	1123.66	Joback Calculated Property
Cp,gas	996.85	J/mol×K	1166.89	Joback Calculated Property
Cp,gas	1002.59	J/mol×K	1210.12	Joback Calculated Property
Cp,gas	1007.02	J/mol×K	1253.35	Joback Calculated Property
Cp,gas	1010.21	J/mol×K	1296.58	Joback Calculated Property
Cp,gas	1012.27	J/mol×K	1339.82	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzeneacetic acid, 4-chloro-«alpha»-(1-methylethyl)-, cyano (3-phenoxyphenyl)methyl ester,(S-(R*,R*))-.

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
• Joback Method
• McGowan Method
• NIST Webbook

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