Chemical Properties of Acetic acid, [2,3-dichloro-4-(2-methylene-1-oxobutyl)phenoxy]-, methyl ester

InChI

InChI=1S/C14H14Cl2O4/c1-4-8(2)14(18)9-5-6-10(13(16)12(9)15)20-7-11(17)19-3/h5-6H,2,4,7H2,1,3H3

InChI Key

XFNMYPXAINMYAC-UHFFFAOYSA-N

Formula

C14H14Cl2O4

SMILES

C=C(CC)C(=O)c1ccc(OCC(=O)OC)c(Cl)c1Cl

Molecular Weight¹

317.17

Other Names

• Ethacrynic acid, methyl ester
• Ethacrynic acid, methylated
• Acetic acid, 2-[2,3-dichloro-4-(2-methylene-1-oxobutyl)phenoxy]-, methyl ester
• Methyl ethacrynate

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	36.27	kJ/mol	Joback Calculated Property
logPoct/wat	3.694		Crippen Calculated Property
McVol	219.420	ml/mol	McGowan Calculated Property
Inp	[2195.00; 2195.00]
Inp	2195.00		NIST
Inp	2195.00		NIST
Tfus	361.22	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[561.64; 617.78]	J/mol×K	[785.34; 1005.59]
Cp,gas	561.64	J/mol×K	785.34	Joback Calculated Property
Cp,gas	573.25	J/mol×K	822.05	Joback Calculated Property
Cp,gas	583.94	J/mol×K	858.76	Joback Calculated Property
Cp,gas	593.74	J/mol×K	895.47	Joback Calculated Property
Cp,gas	602.64	J/mol×K	932.18	Joback Calculated Property
Cp,gas	610.66	J/mol×K	968.88	Joback Calculated Property
Cp,gas	617.78	J/mol×K	1005.59	Joback Calculated Property

Similar Compounds

Find more compounds similar to Acetic acid, [2,3-dichloro-4-(2-methylene-1-oxobutyl)phenoxy]-, methyl 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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.