Chemical Properties of 5,5-Dibromobarbituric acid

InChI

InChI=1S/C4H2Br2N2O3/c5-4(6)1(9)7-3(11)8-2(4)10/h(H2,7,8,9,10,11)

InChI Key

AMATXUCYHHHHHB-UHFFFAOYSA-N

Formula

C4H2Br2N2O3

SMILES

O=C1NC(=O)C(Br)(Br)C(=O)N1

Molecular Weight¹

285.88

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor 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	[129.59; 296.07]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			4.31700e+01
Coefficient B			3.42500e-01
Coefficient C			-9.70000e-05
Coefficient D			7.40000e-09
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	129.59	J/mol×K	273.00	Calculated Property
Cp,gas	152.53	J/mol×K	353.78	Calculated Property
Cp,gas	174.30	J/mol×K	434.56	Calculated Property
Cp,gas	194.92	J/mol×K	515.33	Calculated Property
Cp,gas	214.44	J/mol×K	596.11	Calculated Property
Cp,gas	232.86	J/mol×K	676.89	Calculated Property
Cp,gas	250.21	J/mol×K	757.67	Calculated Property
Cp,gas	266.51	J/mol×K	838.44	Calculated Property
Cp,gas	281.79	J/mol×K	919.22	Calculated Property
Cp,gas	296.07	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 5,5-Dibromobarbituric acid.

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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