Chemical Properties of Butethal (CAS 77-28-1)

Butethal

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InChI
InChI=1S/C10H16N2O3/c1-3-5-6-10(4-2)7(13)11-9(15)12-8(10)14/h3-6H2,1-2H3,(H2,11,12,13,14,15)
InChI Key
STDBAQMTJLUMFW-UHFFFAOYSA-N
Formula
C10H16N2O3
SMILES
CCCCC1(CC)C(=O)NC(=O)NC1=O
Molecular Weight1
212.25
CAS
77-28-1
Other Names
  • 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-butyl-5-ethyl-
  • 5-Butyl-5-ethyl-2,4,6(1H,3H,5H)-pyrimidinetrione
  • 5-Butyl-5-ethylbarbituric acid
  • 5-Ethyl-5-butylbarbituric acid
  • 5-Ethyl-5-n-butylbarbituric acid
  • Barbituric acid, 5-butyl-5-ethyl-
  • Budorm
  • Butabarbitol
  • Butobarbital
  • Butobarbitone
  • Butobarbitural
  • Butyl,5-ethylbarbituric acid
  • Etoval
  • Hyperbutal
  • Longanoct
  • Meonal
  • Monodorm
  • NSC 229336
  • Neonal
  • Sonerile
  • Soneryl
Sources

Physical Properties

Property Value Unit Source
Δf -140.07 kJ/mol Joback Calculated Property
Δfgas -517.65 kJ/mol Joback Calculated Property
Δfus 24.90 kJ/mol Joback Calculated Property
Δvap 63.39 kJ/mol Joback Calculated Property
logPoct/wat 0.94 Crippen Calculated Property
Pc 3181.14 kPa Joback Calculated Property
Tboil 748.55 K Joback Calculated Property
Tc 1001.43 K Joback Calculated Property
Tfus 648.46 K Joback Calculated Property
Vc 0.62 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 494.44 J/mol×K 748.55 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>C< (ring) 1
-CH2- 4
-CH3 2
>NH (ring) 2
>C=O (ring) 3

Similar Compounds

Barbituric acid, 5-ethyl-5-n-hexyl-. 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-. Barbituric acid, 5-ethyl-5-isopropyl-. 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-1,3-dimethyl-5-(3-methylbutyl)-. Talbutal. 2,4,6(1H,3h,5h)-pyrimidinetrione, 5-ethyl-5-(2-propenyl)-. Allobarbital. Brallobarbital M (des-Br, OH).

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