Chemical Properties of Phenothrin (CAS 26002-80-2)

InChI

InChI=1S/C23H26O3/c1-16(2)13-20-21(23(20,3)4)22(24)25-15-17-9-8-12-19(14-17)26-18-10-6-5-7-11-18/h5-14,20-21H,15H2,1-4H3

InChI Key

SBNFWQZLDJGRLK-UHFFFAOYSA-N

Formula

C23H26O3

SMILES

CC(C)=CC1C(C(=O)OCc2cccc(Oc3ccccc3)c2)C1(C)C

Molecular Weight¹

350.45

CAS

26002-80-2

Other Names

• 2,2-Dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylic acid (3-phenoxy-phenyl)methyl ester
• 2,2-Dimethyl-3-(2-methylpropenyl)cyclopropanecarboxylic acid m-phenoxybenzyl ester
• 2,2-Dimethyl-3-(2-methylpropenyl-1)cyclopropancarbonic acid, 3-phenoxybenzyl ester
• 3-Phenoxybenzyl chrysanthemate
• 3-phenoxybenzyl 2-dimethyl-3-(methylpropenyl)cyclopropanecarboxylate
• Anchimanaito 20S
• Benzyl alcohol, m-phenoxy-, 2,2-dimethyl-3-(2-methylpropenyl)cyclopropanecarboxylate
• Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, (3-phenoxyphenyl)methyl ester
• Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methylpropenyl)-, m-phenoxybenzyl ester
• Cyclopropanecarboxylic acid,2,2-dimethyl-3-(2-methylpropen-1-yl), 3-phenoxybenzyl ester
• Duet
• Fenothrin
• Fenotrina
• Multicide 2154
• OMS 1809
• OMS 1810
• PT 515
• Phenothrin, isomer 1
• Phenothrin, isomer 2
• Phenothrine
• Phenoxythrin
• Phonothrin
• Pibutin
• S 2539
• S 2539 (pesticide)
• Solo
• Solo (insecticide)
• Sumithrin
• Sumitrin
• m-Phenoxybenzyl 2,2-dimethyl-3-(2-methylpropenyl)cyclopropanecarboxylate

• 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°	39.87	kJ/mol	Joback Calculated Property
log10WS	[-5.24; -5.24]
log10WS	-5.24		Aq. Solubility Prediction
log10WS	-5.24		Estimated Solubility
logPoct/wat	5.761		Crippen Calculated Property
McVol	285.560	ml/mol	McGowan Calculated Property
Inp	[2531.00; 2545.00]
Inp	2531.00		NIST
Inp	2545.00		NIST
Inp	2531.00		NIST
Tfus	327.05	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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[903.83; 1020.52]	J/mol×K	[884.37; 1120.38]
Cp,gas	903.83	J/mol×K	884.37	Joback Calculated Property
Cp,gas	923.82	J/mol×K	923.70	Joback Calculated Property
Cp,gas	943.32	J/mol×K	963.04	Joback Calculated Property
Cp,gas	962.54	J/mol×K	1002.37	Joback Calculated Property
Cp,gas	981.67	J/mol×K	1041.71	Joback Calculated Property
Cp,gas	1000.93	J/mol×K	1081.04	Joback Calculated Property
Cp,gas	1020.52	J/mol×K	1120.38	Joback Calculated Property

Similar Compounds

Find more compounds similar to Phenothrin.

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
• 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.
These property values are available through the Cheméo API. A free account gives you an access key.