Chemical Properties of Esfenvalerate, isomer 1

Esfenvalerate, isomer 1

InChI
InChI=1S/C25H22ClNO3/c1-17(2)24(19-8-12-20(26)13-9-19)25(28)30-23(16-27)18-10-14-22(15-11-18)29-21-6-4-3-5-7-21/h3-15,17,23-24H,1-2H3
InChI Key
MKLAMBQQMOQHPH-UHFFFAOYSA-N
Formula
C25H22ClNO3
SMILES
CC(C)C(C(=O)OC(C#N)c1ccc(Oc2ccccc2)cc1)c1ccc(Cl)cc1
Molecular Weight1
419.90
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Physical Properties

Property Value Unit Source
ΔfusH° 42.54 kJ/mol Joback Calculated Property
log10WS -7.01 Relay (1.0) Calculated Property
logPoct/wat 6.680 Crippen Calculated Property
McVol 318.760 ml/mol McGowan Calculated Property
Inp [2951.00; 2951.00]   Show Hide
Inp 2951.00 NIST
Inp 2951.00 NIST
Tfus 395.14 K Relay (1.0) Calculated Property

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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [414.74; 960.42] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A-1.72000e+01
Coefficient B1.86444e+00
Coefficient C-1.08912e-03
Coefficient D2.02300e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 414.74 J/mol×K 273.00 Calculated Property
Cp,gas 515.04 J/mol×K 353.78 Calculated Property
Cp,gas 603.94 J/mol×K 434.56 Calculated Property
Cp,gas 682.06 J/mol×K 515.33 Calculated Property
Cp,gas 750.05 J/mol×K 596.11 Calculated Property
Cp,gas 808.55 J/mol×K 676.89 Calculated Property
Cp,gas 858.19 J/mol×K 757.67 Calculated Property
Cp,gas 899.63 J/mol×K 838.44 Calculated Property
Cp,gas 933.49 J/mol×K 919.22 Calculated Property
Cp,gas 960.42 J/mol×K 1000.00 Calculated Property

Similar Compounds

Esfenvalerate, isomer 2. Fenvalerate. Benzeneacetic acid, 4-chloro-«alpha»-(1-methylethyl)-, cyano (3-phenoxyphenyl)methyl ester,(S-(R*,R*))-. FLUCYTHRINATE. (-)-11-nor-9-carboxy-.DELTA.9-THC, trimethylsilyl ether, trimethylsilyl ester. propyl-«delta»1-tetrahydrocannabinolic acid, TMS. «delta»1-tetrahydrocannabinolic acid, TMS. 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)-. 1-Tetrahydrocannabinol, TBDMS. Propyl-1-tetrahydrocannabinol, TBDMS. Heptyl-1-tetrahydrocannabinol, TBDMS. N6-(cyclotetramethylene-tertbutylsilyl)-2'-Deoxyadenosine, 3',5'-bis-O-TBDMS. Nalmefene, bis(trifluoroacetate). 2'-Deoxyadenosine, 3',5',N6-tris(O-TMTBSi). Moexipril desethyl 3Me (Moexprilate 3Me).

Find more compounds similar to Esfenvalerate, isomer 1.

Sources

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