Chemical Properties of 2,4,6(1H,3h,5h)-pyrimidinetrione, 5-ethyl-5-(2-propenyl)- (CAS 2373-84-4)

2,4,6(1H,3h,5h)-pyrimidinetrione, 5-ethyl-5-(2-propenyl)-

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InChI
InChI=1S/C9H12N2O3/c1-3-5-9(4-2)6(12)10-8(14)11-7(9)13/h3H,1,4-5H2,2H3,(H2,10,11,12,13,14)
InChI Key
QPADNTZLUBYNEN-UHFFFAOYSA-N
Formula
C9H12N2O3
SMILES
C=CCC1(CC)C(=O)NC(=O)NC1=O
Molecular Weight1
196.20
CAS
2373-84-4
Other Names
  • 5-Allyl-5-ethylbarbituric acid
  • Aethallymal
  • Barbituric acid, 5-allyl-5-ethyl-
Sources

Physical Properties

Property Value Unit Source
Δf -60.65 kJ/mol Joback Calculated Property
Δfgas -371.58 kJ/mol Joback Calculated Property
Δfus 21.03 kJ/mol Joback Calculated Property
Δvap 60.49 kJ/mol Joback Calculated Property
logPoct/wat 0.32 Crippen Calculated Property
Pc 3740.80 kPa Joback Calculated Property
Tboil 722.35 K Joback Calculated Property
Tc 986.65 K Joback Calculated Property
Tfus 635.43 K Joback Calculated Property
Vc 0.55 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 416.24 J/mol×K 722.35 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

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

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