Chemical Properties of Acetic acid, [2,3-dichloro-4-(2-methylene-1-oxobutyl)phenoxy]-, methyl ester (CAS 6463-21-4)

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

CAS

6463-21-4

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_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°	-261.89	kJ/mol	Joback Calculated Property
ΔfH°gas	-535.61	kJ/mol	Joback Calculated Property
ΔfusH°	36.27	kJ/mol	Joback Calculated Property
ΔvapH°	77.51	kJ/mol	Joback Calculated Property
log10WS	-4.43		Crippen Calculated Property
logPoct/wat	3.694		Crippen Calculated Property
McVol	219.420	ml/mol	McGowan Calculated Property
Pc	2045.61	kPa	Joback Calculated Property
Inp	[2195.00; 2195.00]
Inp	2195.00		NIST
Inp	2195.00		NIST
Tboil	785.34	K	Joback Calculated Property
Tc	1005.59	K	Joback Calculated Property
Tfus	499.96	K	Joback Calculated Property
Vc	0.840	m3/kmol	Joback Calculated Property

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

• 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.