Chemical Properties of Esfenvalerate, isomer 2

InChI

InChI=1S/C25H22ClNO3/c1-17(2)24(19-8-12-20(26)13-9-19)25(28)30-23(16-27)18-10-14-22(15-11-18)29-21-6-4-3-5-7-21/h3-15,17,23-24H,1-2H3

InChI Key

MKLAMBQQMOQHPH-UHFFFAOYSA-N

Formula

C25H22ClNO3

SMILES

CC(C)C(C(=O)OC(C#N)c1ccc(Oc2ccccc2)cc1)c1ccc(Cl)cc1

Molecular Weight¹

419.90

• 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°	252.60	kJ/mol	Joback Calculated Property
ΔfH°gas	-116.40	kJ/mol	Joback Calculated Property
ΔfusH°	40.96	kJ/mol	Joback Calculated Property
ΔvapH°	104.66	kJ/mol	Joback Calculated Property
log10WS	-7.21		Crippen Calculated Property
logPoct/wat	6.680		Crippen Calculated Property
McVol	318.760	ml/mol	McGowan Calculated Property
Pc	1409.07	kPa	Joback Calculated Property
Inp	[2982.00; 2982.00]
Inp	2982.00		NIST
Inp	2982.00		NIST
Tboil	1098.30	K	Joback Calculated Property
Tc	1359.75	K	Joback Calculated Property
Tfus	620.11	K	Joback Calculated Property
Vc	1.210	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[985.65; 1018.78]	J/mol×K	[1098.30; 1359.75]
Cp,gas	985.65	J/mol×K	1098.30	Joback Calculated Property
Cp,gas	994.49	J/mol×K	1141.87	Joback Calculated Property
Cp,gas	1001.88	J/mol×K	1185.45	Joback Calculated Property
Cp,gas	1007.90	J/mol×K	1229.02	Joback Calculated Property
Cp,gas	1012.66	J/mol×K	1272.60	Joback Calculated Property
Cp,gas	1016.26	J/mol×K	1316.17	Joback Calculated Property
Cp,gas	1018.78	J/mol×K	1359.75	Joback Calculated Property

Similar Compounds

Find more compounds similar to Esfenvalerate, isomer 2.

Sources

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

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