Chemical Properties of Cyclopropanecarboxylic acid, 3-(2,2-dichloroethenyl)-2,2-dimethyl-, ethyl ester (CAS 59609-49-3)

InChI

InChI=1S/C10H14Cl2O2/c1-4-14-9(13)8-6(5-7(11)12)10(8,2)3/h5-6,8H,4H2,1-3H3

InChI Key

QPTWKDNRYCGMJM-UHFFFAOYSA-N

Formula

C10H14Cl2O2

SMILES

CCOC(=O)C1C(C=C(Cl)Cl)C1(C)C

Molecular Weight¹

237.12

CAS

59609-49-3

Other Names

• Ethyl 2-(2,2-dichlorovinyl)-3,3-dimethylcyclopropanecarboxylate
• Ethyl 3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropane-1-carboxylate
• 3-(2,2-Dichloroethenyl)-2,2-dimethylcyclopropanecarboxylic acid, ethyl ester
• Ethyl 3-(2,2-dichlorovinyl)-2,2-dimethyl-1-cyclopropanecarboxylate,c&t
• ethyl 3-(2,2-dichlorovinyl)-2,2-dimethyl-1-cyclopropanecarboxylate

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Pressure, Critical Volume, 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.

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[224.08; 529.42]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-5.72390e+01
Coefficient B			1.32236e+00
Coefficient C			-1.19450e-03
Coefficient D			4.58800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	224.08	J/mol×K	273.00	Calculated Property
Cp,gas	281.40	J/mol×K	353.78	Calculated Property
Cp,gas	329.48	J/mol×K	434.56	Calculated Property
Cp,gas	369.79	J/mol×K	515.33	Calculated Property
Cp,gas	403.76	J/mol×K	596.11	Calculated Property
Cp,gas	432.85	J/mol×K	676.89	Calculated Property
Cp,gas	458.51	J/mol×K	757.67	Calculated Property
Cp,gas	482.19	J/mol×K	838.44	Calculated Property
Cp,gas	505.34	J/mol×K	919.22	Calculated Property
Cp,gas	529.42	J/mol×K	1000.00	Calculated Property

Similar Compounds

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

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

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