Chemical Properties of Barbituric acid, 5-nitro- (CAS 28176-10-5)

Barbituric acid, 5-nitro-

Download as PDF file Download as Excel file Download as 2D mole file Predict properties

InChI
InChI=1S/C4H3N3O5/c8-2-1(7(11)12)3(9)6-4(10)5-2/h1H,(H2,5,6,8,9,10)
InChI Key
ABICJYZKIYUWEE-UHFFFAOYSA-N
Formula
C4H3N3O5
SMILES
O=C1NC(=O)C([N+](=O)[O-])C(=O)N1
Molecular Weight1
173.08
CAS
28176-10-5
Sources

Physical Properties

Property Value Unit Source
Δf -149.55 kJ/mol Joback Calculated Property
Δfgas -419.81 kJ/mol Joback Calculated Property
Δfsolid -679.90 kJ/mol NIST
Δfus 27.02 kJ/mol Joback Calculated Property
Δvap 67.78 kJ/mol Joback Calculated Property
logPoct/wat -2.00 Crippen Calculated Property
Pc 6609.82 kPa Joback Calculated Property
Tboil 762.87 K Joback Calculated Property
Tc 1063.49 K Joback Calculated Property
Tfus 700.55 K Joback Calculated Property
Vc 0.37 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 278.87 J/mol×K 762.87 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-NO2 1
>C=O (ring) 3
>CH- (ring) 1
>NH (ring) 2

Similar Compounds

Barbituric acid, 5-hydroxy-5-thiosemicarbazido-. Barbituric acid. 1,3-Dimethylbarbituric acid. Isopropylbarbituric acid. 1,3,7-Trimethylxanthine, TMS. Alloxan, monohydrate. Barbital. Barbituric acid, 5-allyl-. Metharbital ethylated. Barbital perethylated. 1,5-Dimethylbarbituric acid. 5-Hydroxy-2,4,6(1h,3h,5h)-pyrimidinetrione. 2,4,6(1H,3h,5h)-pyrimidinetrione, 5,5-diethyl-1,3-dimethyl-. 1-Methyl-5,5-diethyl barbituric acid. Barbital perbutylated.

Find more compounds similar to Barbituric acid, 5-nitro-.

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.