Chemical Properties of Brallobarbital M (des-Br, OH)

Brallobarbital M (des-Br, OH)

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

InChI
InChI=1S/C10H12N2O4/c1-3-4-10(5-6(2)13)7(14)11-9(16)12-8(10)15/h3H,1,4-5H2,2H3,(H2,11,12,14,15,16)
InChI Key
NUGVFEZFAAGPMS-UHFFFAOYSA-N
Formula
C10H12N2O4
SMILES
C=CCC1(CC(C)=O)C(=O)NC(=O)NC1=O
Molecular Weight1
224.21
Sources

Physical Properties

Property Value Unit Source
Δf -181.15 kJ/mol Joback Calculated Property
Δfgas -504.80 kJ/mol Joback Calculated Property
Δfus 25.22 kJ/mol Joback Calculated Property
Δvap 69.47 kJ/mol Joback Calculated Property
logPoct/wat -0.106 Crippen Calculated Property
Pc 3594.25 kPa Joback Calculated Property
Tboil 799.10 K Joback Calculated Property
Tc 1061.51 K Joback Calculated Property
Tfus 696.63 K Joback Calculated Property
Vc 0.609 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 483.30 J/mol×K 799.1 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-CH3 1
=CH2 1
>NH (ring) 2
-CH2- 2
=CH- 1
>C< (ring) 1
>C=O (nonring) 1
>C=O (ring) 3

Similar Compounds

Barbituric acid, 5-allyl-5-isobutyl-. 5-Acetonyl-5-propyl-hexahydropyrimidin-2,4,6-trione. Barbituric acid, 5-allyl-5-neopentyl-. 5-Allyl-5-butylbarbituric acid. Talbutal. Barbituric acid, 5-(2-bromoallyl)-5-propyl-. 2,4,6(1H,3h,5h)-pyrimidinetrione, 5-ethyl-5-(2-propenyl)-. Allobarbital. Di-n-propylbarbituric acid. 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-methylethyl)-5-(2-propenyl)-. 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(2-bromo-2-propenyl)-5-(1-methylpropyl)-. Butethal. Barbituric acid, 5-ethyl-5-isoamyl-. Cyclopentobarbital. Butabarbital.

Find more compounds similar to Brallobarbital M (des-Br, OH).

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.