Chemical Properties of 2,4-diazaspiro[5.5]undecane-1,3,5-trione

2,4-diazaspiro[5.5]undecane-1,3,5-trione

InChI
InChI=1S/C9H12N2O3/c12-6-9(4-2-1-3-5-9)7(13)11-8(14)10-6/h1-5H2,(H2,10,11,12,13,14)
InChI Key
NBLIVIWUPTWDMD-UHFFFAOYSA-N
Formula
C9H12N2O3
SMILES
O=C1NC(=O)C2(CCCCC2)C(=O)N1
Molecular Weight1
196.21
Other Names
  • cyclohexyl-5-spirobarbituric acid
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Physical Properties

Property Value Unit Source
ΔfusH° 15.18 kJ/mol Joback Calculated Property
IE 9.60 eV Relay (1.0) Calculated Property
log10WS [-3.06; -3.06]   Show Hide
log10WS -3.06 Aq. Solubility Prediction
log10WS -3.06 Estimated Solubility
log10WS -3.06 Rytting (2005)
logPoct/wat 0.303 Crippen Calculated Property
McVol 140.620 ml/mol McGowan Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [172.20; 512.52] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A-4.41800e+01
Coefficient B8.99300e-01
Coefficient C-4.09000e-04
Coefficient D6.64000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 172.20 J/mol×K 273.00 Calculated Property
Cp,gas 225.72 J/mol×K 353.78 Calculated Property
Cp,gas 274.83 J/mol×K 434.56 Calculated Property
Cp,gas 319.73 J/mol×K 515.33 Calculated Property
Cp,gas 360.63 J/mol×K 596.11 Calculated Property
Cp,gas 397.74 J/mol×K 676.89 Calculated Property
Cp,gas 431.28 J/mol×K 757.67 Calculated Property
Cp,gas 461.45 J/mol×K 838.44 Calculated Property
Cp,gas 488.46 J/mol×K 919.22 Calculated Property
Cp,gas 512.52 J/mol×K 1000.00 Calculated Property

Similar Compounds

Spiro[cyclooctane-1,5'(6'H)-pyrimidine]-2',4',6'(1'H,3'H)-trione. Cycloheptyl-5-spirobarbituric acid. 5-Ethyl-5-pentylbarbituric acid. 5-ethyl-5-octyl-1,3-diazinane-2,4,6-trione. Hexethal. 5-Nonyl-5-ethylbarbituric acid. 5-ethyl-5-heptyl-1,3-diazinane-2,4,6-trione. Butethal. Dipropylbarbital. 7,9-diazaspiro[4.5]decane-6,8,10-trione. Amobarbital. Barbituric acid, 5-propyl-5-(2-methylpropyl). 5-methyl-5-propyl-1,3-diazinane-2,4,6-trione. 5-ETHYL-5-(1-METHYLBUTYL)-2,4,6(1H,3H,5H)-PYRIMIDINETRIONE. 5-Acetonyl-5-propyl-hexahydropyrimidin-2,4,6-trione.

Find more compounds similar to 2,4-diazaspiro[5.5]undecane-1,3,5-trione.

Sources

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