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_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

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[985.65; 1018.78]	J/mol×K	[1098.30; 1359.75]
Cp,gas	985.65	J/mol×K	1098.30	Joback Calculated Property
Cp,gas	994.49	J/mol×K	1141.87	Joback Calculated Property
Cp,gas	1001.88	J/mol×K	1185.45	Joback Calculated Property
Cp,gas	1007.90	J/mol×K	1229.02	Joback Calculated Property
Cp,gas	1012.66	J/mol×K	1272.60	Joback Calculated Property
Cp,gas	1016.26	J/mol×K	1316.17	Joback Calculated Property
Cp,gas	1018.78	J/mol×K	1359.75	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

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

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