Chemical Properties of Barbituric acid, 5-ethyl-5-n-hexyl- (CAS 77-30-5)

Barbituric acid, 5-ethyl-5-n-hexyl-

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InChI
InChI=1S/C12H20N2O3/c1-3-5-6-7-8-12(4-2)9(15)13-11(17)14-10(12)16/h3-8H2,1-2H3,(H2,13,14,15,16,17)
InChI Key
PSTVHRSUNBSVIJ-UHFFFAOYSA-N
Formula
C12H20N2O3
SMILES
CCCCCCC1(CC)C(=O)NC(=O)NC1=O
Molecular Weight1
240.30
CAS
77-30-5
Other Names
  • 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-hexyl-
  • 5-Ethyl-5-hexyl-2,4,6(1H,3H,5H)-pyrimidinetrione
  • 5-Ethyl-5-hexylbarbituric acid
  • Acide hexylethylbarbiturique
  • Barbituric acid, 5-ethyl-5-hexyl-
  • Barbituric acid, 5-ethyl-5-n-hexyl-
  • NSC 32303
  • Ortal
  • Ortol
Sources

Physical Properties

Property Value Unit Source
Δf -123.23 kJ/mol Joback Calculated Property
Δfgas -558.93 kJ/mol Joback Calculated Property
Δfus 30.08 kJ/mol Joback Calculated Property
Δvap 67.84 kJ/mol Joback Calculated Property
logPoct/wat 1.72 Crippen Calculated Property
Pc 2589.85 kPa Joback Calculated Property
Tboil 794.31 K Joback Calculated Property
Tc 1037.02 K Joback Calculated Property
Tfus 671.00 K Joback Calculated Property
Vc 0.73 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 606.15 J/mol×K 794.31 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>C< (ring) 1
-CH2- 6
-CH3 2
>NH (ring) 2
>C=O (ring) 3

Similar Compounds

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

Find more compounds similar to Barbituric acid, 5-ethyl-5-n-hexyl-.

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