Chemical Properties of CYPERMETHRIN

InChI

InChI=1S/C22H19Cl2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3

InChI Key

KAATUXNTWXVJKI-UHFFFAOYSA-N

Formula

C22H19Cl2NO3

SMILES

CC1(C)C(C=C(Cl)Cl)C1C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1

Molecular Weight¹

416.30

Other Names

• [cyano-[3-(phenoxy)phenyl]methyl] 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate

• 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

Property	Value	Unit	Source
ΔfusH°	45.23	kJ/mol	Joback Calculated Property
log10WS	[-8.02; -8.02]
log10WS	-8.02		Aq. Solubility Prediction
log10WS	-8.02		Estimated Solubility
logPoct/wat	6.178		Crippen Calculated Property
McVol	297.330	ml/mol	McGowan Calculated Property
Inp	[2755.00; 2825.00]
Inp	2755.00		NIST
Inp	2815.00		NIST
Inp	2784.00		NIST
Inp	2825.00		NIST
Inp	2815.00		NIST
Tfus	[351.27; 353.15]	K
Tfus	353.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	351.27	K	Aq. Solubility Prediction

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	[383.14; 903.94]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-8.08400e+01
Coefficient B			2.12254e+00
Coefficient C			-1.70386e-03
Coefficient D			5.66100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	383.14	J/mol×K	273.00	Calculated Property
Cp,gas	481.88	J/mol×K	353.78	Calculated Property
Cp,gas	566.22	J/mol×K	434.56	Calculated Property
Cp,gas	637.96	J/mol×K	515.33	Calculated Property
Cp,gas	698.88	J/mol×K	596.11	Calculated Property
Cp,gas	750.78	J/mol×K	676.89	Calculated Property
Cp,gas	795.44	J/mol×K	757.67	Calculated Property
Cp,gas	834.67	J/mol×K	838.44	Calculated Property
Cp,gas	870.23	J/mol×K	919.22	Calculated Property
Cp,gas	903.94	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to CYPERMETHRIN.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• 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
• Joback Method
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
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