Chemical Properties of Amobarbital (CAS 57-43-2)

Amobarbital

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InChI
InChI=1S/C11H18N2O3/c1-4-11(6-5-7(2)3)8(14)12-10(16)13-9(11)15/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16)
InChI Key
VIROVYVQCGLCII-UHFFFAOYSA-N
Formula
C11H18N2O3
SMILES
CCC1(CCC(C)C)C(=O)NC(=O)NC1=O
Molecular Weight1
226.27
CAS
57-43-2
Other Names
  • 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-(3-methylbutyl)-
  • 5-Ethyl-5-(3-methylbutyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
  • 5-Ethyl-5-(3-methylbutyl)barbituric acid
  • 5-Ethyl-5-isoamylbarbituric acid
  • 5-Ethyl-5-isoamylmalonyl urea
  • 5-Ethyl-5-isopentylbarbituric acid
  • 5-Isoamyl-5-ethylbarbituric acid
  • Amal
  • Amasust
  • Amital
  • Amobarbitone
  • Amospan
  • Amybal
  • Amylbarbitone
  • Amylobarbital
  • Amylobarbitone
  • Amytal
  • Barbamil
  • Barbamyl
  • Barbamyl acid
  • Barbituric acid, 5-ethyl-5-isoamyl-
  • Barbituric acid, 5-ethyl-5-isopentyl-
  • Binoctal
  • Dorlotyn
  • Dormytal
  • Ethylisopentylbarbituric acid
  • Eunoctal
  • Isoamylethylbarbituric acid
  • Isomyl
  • Isomytal
  • Mylodorm
  • NSC 10815
  • Pentymal
  • Pentymalum
  • Robarb
  • Schiwanox
  • Sednotic
  • Somnal
  • Stadadorm
  • Sumital
  • Talamo
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Physical Properties

Property Value Unit Source
Δf -134.09 kJ/mol Joback Calculated Property
Δfgas -543.57 kJ/mol Joback Calculated Property
Δfus 23.97 kJ/mol Joback Calculated Property
Δvap 65.23 kJ/mol Joback Calculated Property
log10WS [-2.64; -2.47]   Show Hide
log10WS -2.64 Aq. Sol...
log10WS -2.47 Estimat...
log10WS -2.47 Rytting...
logPoct/wat 1.185 Crippen Calculated Property
McVol 179.660 ml/mol McGowan Calculated Property
Pc 2887.40 kPa Joback Calculated Property
Inp [1682.00; 1760.00]   Show Hide
Inp 1735.00 NIST
Inp 1695.00 NIST
Inp 1694.00 NIST
Inp 1705.00 NIST
Inp 1727.00 NIST
Inp 1700.00 NIST
Inp 1715.00 NIST
Inp 1710.00 NIST
Inp 1710.00 NIST
Inp 1715.00 NIST
Inp 1715.00 NIST
Inp 1710.00 NIST
Inp 1698.00 NIST
Inp 1696.00 NIST
Inp Outlier 1760.00 NIST
Inp Outlier 1752.90 NIST
Inp 1718.00 NIST
Inp 1682.00 NIST
Inp 1697.00 NIST
Inp 1690.00 NIST
Inp 1737.00 NIST
Inp 1697.00 NIST
Inp 1720.00 NIST
Inp 1711.00 NIST
Inp 1697.00 NIST
Inp 1714.00 NIST
Inp 1702.00 NIST
Inp 1715.00 NIST
Inp 1725.00 NIST
Inp 1695.00 NIST
Inp 1685.00 NIST
Inp 1692.00 NIST
Inp 1697.00 NIST
Inp 1690.00 NIST
Inp Outlier 1750.00 NIST
Inp 1718.00 NIST
Inp 1697.00 NIST
Inp 1710.00 NIST
Inp 1711.00 NIST
Inp 1712.00 NIST
Inp 1713.00 NIST
Inp 1721.00 NIST
Inp 1718.00 NIST
Inp 1689.00 NIST
Inp 1692.00 NIST
Inp 1697.00 NIST
Inp 1691.00 NIST
Inp 1691.00 NIST
Inp 1695.00 NIST
Inp 1703.00 NIST
Inp 1697.00 NIST
Inp 1725.00 NIST
Inp 1718.00 NIST
Inp 1714.00 NIST
Inp 1725.00 NIST
Inp Outlier 1752.90 NIST
Inp 1737.00 NIST
Inp 1689.00 NIST
Inp 1695.00 NIST
Inp 1714.00 NIST
Inp Outlier 1750.00 NIST
Inp 1712.00 NIST
Inp 1735.00 NIST
Inp 1700.00 NIST
Inp 1715.00 NIST
Inp Outlier 1760.00 NIST
Tboil 770.99 K Joback Calculated Property
Tc 1023.28 K Joback Calculated Property
Tfus [426.00; 433.00] K Show Hide
Tfus 429.75 K Aq. Sol...
Tfus 433.00 ± 1.00 K NIST
Tfus 426.00 ± 4.00 K NIST
Vc 0.671 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [550.25; 647.06] J/mol×K [770.99; 1023.28] Show Hide
Cp,gas 550.25 J/mol×K 770.99 Joback Calculated Property
Cp,gas 568.87 J/mol×K 813.04 Joback Calculated Property
Cp,gas 586.48 J/mol×K 855.09 Joback Calculated Property
Cp,gas 603.10 J/mol×K 897.13 Joback Calculated Property
Cp,gas 618.72 J/mol×K 939.18 Joback Calculated Property
Cp,gas 633.37 J/mol×K 981.23 Joback Calculated Property
Cp,gas 647.06 J/mol×K 1023.28 Joback Calculated Property

Similar Compounds

Hexethal. 5-ethyl-5-octyl-1,3-diazinane-2,4,6-trione. 5-Nonyl-5-ethylbarbituric acid. 5-ethyl-5-heptyl-1,3-diazinane-2,4,6-trione. 5-Ethyl-5-pentylbarbituric acid. Butethal. Barbituric acid, 5-propyl-5-(2-methylpropyl). 2,4-diazaspiro[5.5]undecane-1,3,5-trione. Spiro[cyclooctane-1,5'(6'H)-pyrimidine]-2',4',6'(1'H,3'H)-trione. Cycloheptyl-5-spirobarbituric acid. Barbituric acid, 5,5-dipropyl-. Pentobarbital. 7,9-diazaspiro[4.5]decane-6,8,10-trione. Butabarbital. 5-methyl-5-propyl-1,3-diazinane-2,4,6-trione.

Find more compounds similar to Amobarbital.

Sources

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.