Chemical Properties of Cyclopropanecarboxylic acid, 3-(2,2-dichloroethenyl)-2,2-dimethyl-, (3-phenoxyphenyl)methyl ester, cis- (CAS 61949-76-6)

InChI

InChI=1S/C21H20Cl2O3/c1-21(2)17(12-18(22)23)19(21)20(24)25-13-14-7-6-10-16(11-14)26-15-8-4-3-5-9-15/h3-12,17,19H,13H2,1-2H3/t17-,19-/m1/s1

InChI Key

RLLPVAHGXHCWKJ-IEBWSBKVSA-N

Formula

C21H20Cl2O3

SMILES

CC1(C)C(C=C(Cl)Cl)C1C(=O)OCc1cccc(Oc2ccccc2)c1

Molecular Weight¹

391.29

CAS

61949-76-6

Other Names

• cis-Permethrin
• Permethrin (cis)
• m-phenoxybenzyl cis-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate
• (3-Phenoxyphenyl)methyl-cis-3-(2,2-dichloroethenyl-2,2-dimethylcyclopropanecarboxylate (cis-permethrin)

• 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_subH : Enthalpy of sublimation at a given temperature (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°	89.86	kJ/mol	Joback Calculated Property
ΔfH°gas	-268.89	kJ/mol	Joback Calculated Property
ΔfusH°	43.08	kJ/mol	Joback Calculated Property
ΔvapH°	86.07	kJ/mol	Joback Calculated Property
log10WS	-6.52		Crippen Calculated Property
logPoct/wat	6.113		Crippen Calculated Property
McVol	281.860	ml/mol	McGowan Calculated Property
Pc	1644.42	kPa	Joback Calculated Property
Inp	[2615.00; 2615.00]
Inp	2615.00		NIST
Inp	2615.00		NIST
Inp	2615.00		NIST
Tboil	913.47	K	Joback Calculated Property
Tc	1160.83	K	Joback Calculated Property
Tfus	560.34	K	Joback Calculated Property
Vc	1.069	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[837.42; 946.56]	J/mol×K	[913.47; 1160.83]
Cp,gas	837.42	J/mol×K	913.47	Joback Calculated Property
Cp,gas	855.30	J/mol×K	954.70	Joback Calculated Property
Cp,gas	872.99	J/mol×K	995.92	Joback Calculated Property
Cp,gas	890.73	J/mol×K	1037.15	Joback Calculated Property
Cp,gas	908.75	J/mol×K	1078.38	Joback Calculated Property
Cp,gas	927.28	J/mol×K	1119.60	Joback Calculated Property
Cp,gas	946.56	J/mol×K	1160.83	Joback Calculated Property
ΔsubH	108.80	kJ/mol	323.00	NIST

Similar Compounds

Find more compounds similar to Cyclopropanecarboxylic acid, 3-(2,2-dichloroethenyl)-2,2-dimethyl-, (3-phenoxyphenyl)methyl ester, cis-.

Sources

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

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