Chemical Properties of Dimethyl 2,5-dichloro-4-bromo-3-oxopentanoate

InChI

InChI=1S/C6H7BrCl2O3/c1-12-6(11)4(9)5(10)3(7)2-8/h3-4H,2H2,1H3

InChI Key

FMRBNGIONFNJLF-UHFFFAOYSA-N

Formula

C6H7BrCl2O3

SMILES

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

Molecular Weight¹

277.93

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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°	-377.62	kJ/mol	Joback Calculated Property
ΔfH°gas	-540.26	kJ/mol	Joback Calculated Property
ΔfusH°	22.32	kJ/mol	Joback Calculated Property
ΔvapH°	59.28	kJ/mol	Joback Calculated Property
log10WS	-1.44		Crippen Calculated Property
logPoct/wat	1.338		Crippen Calculated Property
McVol	146.390	ml/mol	McGowan Calculated Property
Pc	3568.53	kPa	Joback Calculated Property
Inp	[1457.00; 1457.00]
Inp	1457.00		NIST
Inp	1457.00		NIST
Tboil	606.98	K	Joback Calculated Property
Tc	828.15	K	Joback Calculated Property
Tfus	369.11	K	Joback Calculated Property
Vc	0.549	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[290.90; 332.15]	J/mol×K	[606.98; 828.15]
Cp,gas	290.90	J/mol×K	606.98	Joback Calculated Property
Cp,gas	299.08	J/mol×K	643.84	Joback Calculated Property
Cp,gas	306.73	J/mol×K	680.70	Joback Calculated Property
Cp,gas	313.85	J/mol×K	717.56	Joback Calculated Property
Cp,gas	320.45	J/mol×K	754.42	Joback Calculated Property
Cp,gas	326.55	J/mol×K	791.29	Joback Calculated Property
Cp,gas	332.15	J/mol×K	828.15	Joback Calculated Property
η	[0.0002592; 0.0026598]	Pa×s	[369.11; 606.98]
η	0.0026598	Pa×s	369.11	Joback Calculated Property
η	0.0014948	Pa×s	408.75	Joback Calculated Property
η	0.0009302	Pa×s	448.40	Joback Calculated Property
η	0.0006253	Pa×s	488.05	Joback Calculated Property
η	0.0004461	Pa×s	527.69	Joback Calculated Property
η	0.0003337	Pa×s	567.34	Joback Calculated Property
η	0.0002592	Pa×s	606.98	Joback Calculated Property

Similar Compounds

Find more compounds similar to Dimethyl 2,5-dichloro-4-bromo-3-oxopentanoate.

Sources

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

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