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

Benzeneacetic acid, 4-chloro-«alpha»-(1-methylethyl)-, cyano (3-phenoxyphenyl)methyl ester,(S-(R*,R*))-

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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
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Physical Properties

Property Value Unit Source
Δf 252.60 kJ/mol Joback Calculated Property
Δfgas -116.40 kJ/mol Joback Calculated Property
Δfus 40.96 kJ/mol Joback Calculated Property
Δvap 104.66 kJ/mol Joback Calculated Property
log10WS -7.21 Crippen Calculated Property
logPoct/wat 6.680 Crippen Calculated Property
McVol 318.760 ml/mol McGowan Calculated Property
Pc 1409.07 kPa Joback Calculated Property
Inp 2861.00 NIST
Tboil 1098.30 K Joback Calculated Property
Tc 1359.75 K Joback Calculated Property
Tfus 620.11 K Joback Calculated Property
Vc 1.210 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [985.65; 1018.78] J/mol×K [1098.30; 1359.75] Show Hide
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

Fenvalerate. Flucythrinate. Esfenvalerate, isomer 2. Esfenvalerate, isomer 1. (-)-11-nor-9-carboxy-.DELTA.9-THC, trimethylsilyl ether, trimethylsilyl ester. «delta»1-tetrahydrocannabinolic acid, TMS. propyl-«delta»1-tetrahydrocannabinolic acid, TMS. Heptyl-1-tetrahydrocannabinol, TBDMS. Propyl-1-tetrahydrocannabinol, TBDMS. 1-Tetrahydrocannabinol, TBDMS. Silane, (1,1-dimethylethyl)dimethyl[(6a,7,8,10a-tetrahydro-6,6,9-trimethyl-3-pentyl-6H-dibenzo[b,d]pyran-1-yl)oxy]-, (6aR-trans)-. Nalmefene, bis(trifluoroacetate). Zinc octaethylporphyrin chloride. 1H-pyrazolo[3,4-d]pyrimidine, 4-(methylthio)-1-beta-d-ribofuranosyl-, 2',3',5'-tribenzoate. Moexipril desethyl 3Me (Moexprilate 3Me).

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

Sources

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