Chemical Properties of Methyl 4,5-dibromo-2-chloro-3-oxopentanoate

InChI

InChI=1S/C6H7Br2ClO3/c1-12-6(11)4(9)5(10)3(8)2-7/h3-4H,2H2,1H3

InChI Key

VQMVZGZYYJCLJS-UHFFFAOYSA-N

Formula

C6H7Br2ClO3

SMILES

COC(=O)C(Cl)C(=O)C(Br)CBr

Molecular Weight¹

322.38

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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°	24.99	kJ/mol	Joback Calculated Property
ΔvapH°	68.05	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	1.494		Crippen Calculated Property
McVol	151.650	ml/mol	McGowan Calculated Property
Inp	[1528.00; 1528.00]
Inp	1528.00		NIST
Inp	1528.00		NIST
Tboil	523.38	K	Relay (1.0) Calculated Property
Tfus	354.42	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	[297.75; 337.50]	J/mol×K	[617.84; 845.59]
Cp,gas	297.75	J/mol×K	617.84	Joback Calculated Property
Cp,gas	305.89	J/mol×K	655.80	Joback Calculated Property
Cp,gas	313.39	J/mol×K	693.76	Joback Calculated Property
Cp,gas	320.28	J/mol×K	731.71	Joback Calculated Property
Cp,gas	326.58	J/mol×K	769.67	Joback Calculated Property
Cp,gas	332.31	J/mol×K	807.63	Joback Calculated Property
Cp,gas	337.50	J/mol×K	845.59	Joback Calculated Property
η	[0.0002229; 0.0028214]	Pa×s	[369.16; 617.84]
η	0.0028214	Pa×s	369.16	Joback Calculated Property
η	0.0014929	Pa×s	410.61	Joback Calculated Property
η	0.0008878	Pa×s	452.05	Joback Calculated Property
η	0.0005761	Pa×s	493.50	Joback Calculated Property
η	0.0003997	Pa×s	534.95	Joback Calculated Property
η	0.0002923	Pa×s	576.39	Joback Calculated Property
η	0.0002229	Pa×s	617.84	Joback Calculated Property

Similar Compounds

Find more compounds similar to Methyl 4,5-dibromo-2-chloro-3-oxopentanoate.

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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