Chemical Properties of Barbituric acid, 5-(2-bromoallyl)-5-propyl- (CAS 91062-54-3)

InChI

InChI=1S/C10H13BrN2O3/c1-3-4-10(5-6(2)11)7(14)12-9(16)13-8(10)15/h2-5H2,1H3,(H2,12,13,14,15,16)

InChI Key

ISWRUGBQYRDOGS-UHFFFAOYSA-N

Formula

C10H13BrN2O3

SMILES

C=C(Br)CC1(CCC)C(=O)NC(=O)NC1=O

Molecular Weight¹

289.13

CAS

91062-54-3

Other Names

• 5-(2-Bromoallyl)-5-propylbarbituric acid
• 5-(n-Propyl)-5-(2-bromoallyl)barbituric acid
• 5-(2-Bromo-2-propenyl)-5-propyl-hexahydropyrimidin-2,4,6-trione
• Brallobarbital, dihydro-
• Brallobarbital M (dihydro)

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion 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).
• I_np : Non-polar retention indices.
• 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, Ionization energy 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	[505.78; 590.75]	J/mol×K	[811.47; 1083.11]
Cp,gas	505.78	J/mol×K	811.47	Joback Calculated Property
Cp,gas	522.01	J/mol×K	856.74	Joback Calculated Property
Cp,gas	537.36	J/mol×K	902.02	Joback Calculated Property
Cp,gas	551.87	J/mol×K	947.29	Joback Calculated Property
Cp,gas	565.58	J/mol×K	992.56	Joback Calculated Property
Cp,gas	578.53	J/mol×K	1037.83	Joback Calculated Property
Cp,gas	590.75	J/mol×K	1083.11	Joback Calculated Property

Similar Compounds

Find more compounds similar to Barbituric acid, 5-(2-bromoallyl)-5-propyl-.

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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