Chemical Properties of Dimethyl 2-chloro-4-bromo-3-oxopentanedioate

InChI

InChI=1S/C6H6BrClO3/c1-3(7)5(9)4(8)6(10)11-2/h4H,1H2,2H3

InChI Key

SAGQKOKUIJJBAB-UHFFFAOYSA-N

Formula

C6H6BrClO3

SMILES

C=C(Br)C(=O)C(Cl)C(=O)OC

Molecular Weight¹

241.47

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization 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_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	20.63	kJ/mol	Joback Calculated Property
ΔvapH°	59.64	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	1.244		Crippen Calculated Property
McVol	129.850	ml/mol	McGowan Calculated Property
Inp	[1478.00; 1478.00]
Inp	1478.00		NIST
Inp	1478.00		NIST
Tboil	479.84	K	Relay (1.0) Calculated Property
Tfus	312.88	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation 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	[249.28; 290.34]	J/mol×K	[548.68; 767.40]
Cp,gas	249.28	J/mol×K	548.68	Joback Calculated Property
Cp,gas	257.48	J/mol×K	585.13	Joback Calculated Property
Cp,gas	265.11	J/mol×K	621.59	Joback Calculated Property
Cp,gas	272.20	J/mol×K	658.04	Joback Calculated Property
Cp,gas	278.75	J/mol×K	694.50	Joback Calculated Property
Cp,gas	284.80	J/mol×K	730.95	Joback Calculated Property
Cp,gas	290.34	J/mol×K	767.40	Joback Calculated Property

Similar Compounds

Find more compounds similar to Dimethyl 2-chloro-4-bromo-3-oxopentanedioate.

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.
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