Chemical Properties of Bioallethrin (CAS 584-79-2)

InChI

InChI=1S/C19H26O3/c1-7-8-13-12(4)16(10-15(13)20)22-18(21)17-14(9-11(2)3)19(17,5)6/h7,9,14,16-17H,1,8,10H2,2-6H3

InChI Key

ZCVAOQKBXKSDMS-UHFFFAOYSA-N

Formula

C19H26O3

SMILES

C=CCC1=C(C)C(OC(=O)C2C(C=C(C)C)C2(C)C)CC1=O

Molecular Weight¹

302.41

CAS

584-79-2

Other Names

• Allethrin
• Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methylpropenyl)-, ester with 2-allyl-4-hydroxy-3-methyl-2-cyclopenten-1-one
• (.+/-.)-Allelrethonyl (.+/-.)-cis,trans-chrysanthemate
• Allethrine
• Allyl cinerin I
• Cinerin I allyl homolog
• Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, 2-methyl-4-oxo-3-(2-propenyl)-2-cyclopentene-1-yl ester
• ENT 17510
• Pynamin
• Pyresyn
• Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, 2-methyl-4-oxo-3-(2-propenyl)-2-cyclopenten-1-yl ester
• (.+/-.)-3-Allyl-2-methyl-4-oxocyclopent-2-enyl 2,2-dimethyl-3-(2-methylprop-1-enyl) cyclopropylcarboxylate
• trans-Bioallethrin
• trans-Allethrin
• Allyl homolog of cinerin I
• Bioaletrina
• Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, 2-methyl-4-oxo-3-(2-propenyl)-2-cyclopenten-1-yl ester, d-trans-
• dl-Allethrin
• D,L-2-Allyl-4-hydroxy-3-methyl-2-cyclopenten-1-one-D,L-chrysanthemum monocarboxylate
• ENT 16275
• FDA 1446
• FMC 249
• Necarboxylic acid
• NIA 249
• Pallethrine
• Pyresin
• Pyrethrin
• 2-Allyl-4-hydroxy-3-methyl-2-cyclopenten-1-one ester of 2,2-dimethyl-3-(2-methyl propenyl) cyclopropane carboxylic acid
• 3-Allyl-2-methyl-4-oxo-2-cyclopenten-1-yl chrysanthemate
• 3-Allyl-4-keto-2-methylcyclopentenyl chrysanthemum monocarboxylate
• (RS)-3-Allyl-2-methyl-4-oxocyclopent-2-enyl (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate
• 2-Methyl-4-oxo-3-(2-propenyl)-2-cyclopenten-1-yl-2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylate
• Alleviate
• Allethrin-1
• Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)-, 2-methyl-4-oxo-3-(2-propen-1-yl)-2-cyclopenten-1-yl ester
• Chrysanthemummonocarboxylic acid, 3-allyl-3-methyl-4-oxo-2-cyclopenten-1-yl ester
• Exthrin
• Matox
• Pynamin-forte
• RU 27436
• 3-Allyl-4-methyl-2-oxo-3-cyclopenten-1-yl ester of 2,2-dimethyl-3-(2-methylpropenyl)cyclopropanecarboxylic acid

• 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

Property	Value	Unit	Source
ΔfG°	-0.81	kJ/mol	Joback Calculated Property
ΔfH°gas	-442.45	kJ/mol	Joback Calculated Property
ΔfusH°	33.23	kJ/mol	Joback Calculated Property
ΔvapH°	70.68	kJ/mol	Joback Calculated Property
log10WS	-4.66		Crippen Calculated Property
logPoct/wat	4.002		Crippen Calculated Property
McVol	252.960	ml/mol	McGowan Calculated Property
Pc	1517.57	kPa	Joback Calculated Property
Inp	[2034.00; 2065.00]
Inp	2034.00		NIST
Inp	2053.00		NIST
Inp	2065.00		NIST
Inp	2034.00		NIST
Inp	2065.00		NIST
Tboil	800.99	K	Joback Calculated Property
Tc	1021.94	K	Joback Calculated Property
Tfus	493.53	K	Joback Calculated Property
Vc	0.973	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[792.44; 903.63]	J/mol×K	[800.99; 1021.94]
Cp,gas	792.44	J/mol×K	800.99	Joback Calculated Property
Cp,gas	812.32	J/mol×K	837.82	Joback Calculated Property
Cp,gas	831.48	J/mol×K	874.64	Joback Calculated Property
Cp,gas	850.06	J/mol×K	911.47	Joback Calculated Property
Cp,gas	868.19	J/mol×K	948.29	Joback Calculated Property
Cp,gas	886.00	J/mol×K	985.12	Joback Calculated Property
Cp,gas	903.63	J/mol×K	1021.94	Joback Calculated Property

Similar Compounds

Find more compounds similar to Bioallethrin.

Sources

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

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