Chemical Properties of Barbituric acid, 5-allyl- (CAS 2565-43-7)

Barbituric acid, 5-allyl-

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InChI
InChI=1S/C7H8N2O3/c1-2-3-4-5(10)8-7(12)9-6(4)11/h2,4H,1,3H2,(H2,8,9,10,11,12)
InChI Key
JLXDSDWQIIJSHV-UHFFFAOYSA-N
Formula
C7H8N2O3
SMILES
C=CCC1C(=O)NC(=O)NC1=O
Molecular Weight1
168.15
CAS
2565-43-7
Other Names
  • 5-allylbarbituric acid
Sources

Physical Properties

Property Value Unit Source
Δf -72.00 kJ/mol Joback Calculated Property
Δfgas -345.54 kJ/mol Joback Calculated Property
Δfus 22.15 kJ/mol Joback Calculated Property
Δvap 57.19 kJ/mol Joback Calculated Property
logPoct/wat -0.46 Crippen Calculated Property
Pc 4516.42 kPa Joback Calculated Property
Tboil 676.35 K Joback Calculated Property
Tc 943.37 K Joback Calculated Property
Tfus 588.99 K Joback Calculated Property
Vc 0.44 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 317.72 J/mol×K 676.35 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Isopropylbarbituric acid. 2,4,6(1H,3h,5h)-pyrimidinetrione, 5-ethyl-5-(2-propenyl)-. Allobarbital. Barbital. 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-methylethyl)-5-(2-propenyl)-. Barbituric acid, 5-allyl-5-isobutyl-. Barbituric acid, 5-allyl-5-neopentyl-. 5-Allyl-5-butylbarbituric acid. Barbituric acid, 5-ethyl-5-isopropyl-. Di-n-propylbarbituric acid. Brallobarbital. Talbutal. Brallobarbital M (des-Br, OH). Butethal. Barbituric acid, 5-ethyl-5-isoamyl-.

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

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