Chemical Properties of Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, 2-methyl-4-oxo-3-(2,4-pentadienyl)-2-cyclopenten-1-yl ester, [1R-[1«alpha»[S*(Z)],3«beta»]]- (CAS 121-21-1)

InChI

InChI=1S/C21H28O3/c1-7-8-9-10-15-14(4)18(12-17(15)22)24-20(23)19-16(11-13(2)3)21(19,5)6/h7-9,11,16,18-19H,1,10,12H2,2-6H3/b9-8-

InChI Key

ROVGZAWFACYCSP-HJWRWDBZSA-N

Formula

C21H28O3

SMILES

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

Molecular Weight¹

328.45

CAS

121-21-1

Other Names

• (+)-Pyrethronyl (+)-trans-chrysanthemate
• Chrysanthemummonocarboxylic acid pyrethrolone ester
• Pyrethrin I
• Piretrina 1
• Pyrethrolone, chrysanthemum monocarboxylic acid ester
• Rcra waste number P008
• (1S)-2-Methyl-4-oxo-3-[(2Z)-2,4-pentadienyl]-2-cyclopenten-1-yl 2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylate, (1R,3R)-
• Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, 2-methyl-4-oxo-3-(2,4-pentadienyl)-2-cyclopenten-1-yl ester
• Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methylpropenyl)-, ester with 4-hydroxy-3-methyl-2-(2,4-pentadienyl)-2-cyclopenten-1-one
• Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, (1S)-2-methyl-4-oxo-3-(2Z)-2,4-pentadienyl-2-cyclopenten-1-yl ester, (1R,3R)-
• 2-methyl-4-oxo-3-(penta-2,4-dienyl)cyclopent-2-enyl [1R-[1«alpha»[S*(Z)],3«beta»]]-chrysanthemate

• 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°	96.25	kJ/mol	Joback Calculated Property
ΔfH°gas	-366.51	kJ/mol	Joback Calculated Property
ΔfusH°	38.62	kJ/mol	Joback Calculated Property
ΔvapH°	75.09	kJ/mol	Joback Calculated Property
log10WS	-5.35		Crippen Calculated Property
logPoct/wat	4.558		Crippen Calculated Property
McVol	276.840	ml/mol	McGowan Calculated Property
Pc	1364.66	kPa	Joback Calculated Property
Inp	[2297.00; 2314.00]
Inp	2314.00		NIST
Inp	2297.00		NIST
Inp	2314.00		NIST
Tboil	850.91	K	Joback Calculated Property
Tc	1073.70	K	Joback Calculated Property
Tfus	510.99	K	Joback Calculated Property
Vc	1.065	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[886.31; 1003.91]	J/mol×K	[850.91; 1073.70]
Cp,gas	886.31	J/mol×K	850.91	Joback Calculated Property
Cp,gas	906.77	J/mol×K	888.04	Joback Calculated Property
Cp,gas	926.67	J/mol×K	925.17	Joback Calculated Property
Cp,gas	946.18	J/mol×K	962.31	Joback Calculated Property
Cp,gas	965.45	J/mol×K	999.44	Joback Calculated Property
Cp,gas	984.64	J/mol×K	1036.57	Joback Calculated Property
Cp,gas	1003.91	J/mol×K	1073.70	Joback Calculated Property

Similar Compounds

Find more compounds similar to Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, 2-methyl-4-oxo-3-(2,4-pentadienyl)-2-cyclopenten-1-yl ester, [1R-[1«alpha»[S*(Z)],3«beta»]]-.

Sources

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

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