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

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
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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]   Show Hide
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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [190.78; 353.49] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A5.61110e+01
Coefficient B5.86020e-01
Coefficient C-3.58900e-04
Coefficient D7.02600e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 190.78 J/mol×K 273.00 Calculated Property
Cp,gas 221.62 J/mol×K 353.78 Calculated Property
Cp,gas 248.76 J/mol×K 434.56 Calculated Property
Cp,gas 272.41 J/mol×K 515.33 Calculated Property
Cp,gas 292.79 J/mol×K 596.11 Calculated Property
Cp,gas 310.13 J/mol×K 676.89 Calculated Property
Cp,gas 324.65 J/mol×K 757.67 Calculated Property
Cp,gas 336.57 J/mol×K 838.44 Calculated Property
Cp,gas 346.11 J/mol×K 919.22 Calculated Property
Cp,gas 353.49 J/mol×K 1000.00 Calculated Property
Property Value Unit Temperature (K) Source
η [0.0028214; 0.0002630] Pa×s [369.16; 591.91] Joback Predicted correlation Show Hide
EquationY = exp(A + B/T + C·ln(T) + D·T^E)
Y is η in Pa×s, T in K
Coefficient A-1.21763e+01
Coefficient B2.32783e+03
Coefficient C0.00000e+00
Coefficient D0.00000e+00
Coefficient E0.00000e+00
CommentLiquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.369.16
Temperature range, max.591.91
η 0.0028214 Pa×s 369.16 Calculated Property
η 0.0018984 Pa×s 393.91 Calculated Property
η 0.0013387 Pa×s 418.66 Calculated Property
η 0.0009815 Pa×s 443.41 Calculated Property
η 0.0007436 Pa×s 468.16 Calculated Property
η 0.0005793 Pa×s 492.91 Calculated Property
η 0.0004622 Pa×s 517.66 Calculated Property
η 0.0003765 Pa×s 542.41 Calculated Property
η 0.0003122 Pa×s 567.16 Calculated Property
η 0.0002630 Pa×s 591.91 Calculated Property

Similar Compounds

Dimethyl 2,5-dichloro-4-bromo-3-oxopentanoate. Furo[2,3,4-gh]pyrrolizin-2(2aH)-one, hexahydro-, (2a«alpha»,7a«alpha»,7b«alpha»)-. Nemorensine-isomer. Nemorensine. ETHYLBENZOYLECGONINE. 16-Oxoestradiol, TMS. Parsonsine. 7-Angeloyl-9-methylbutyrylheliotridine. Florosenine. (-)-3-Menthoxyacetoxy-(-)-estra-1,3,5(10),6,8-pentaen-17-one. Florosenine (otonecine-acetyljacobine). (-)-3-Menthoxyacetoxy-(+)-estra-1,3,5(10),6,8-pentaen-17-one. Isoflupredone, bis-MO-tris-TMS. 10-Hydroxycalamene-8,9-epoxide. 17Beta-acetoxy-2,4-dibromoestra-1,3,5(10)-trien-3-ol.

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

Sources

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