Chemical Properties of Pyrithyldione (CAS 77-04-3)

Pyrithyldione

InChI
InChI=1S/C9H13NO2/c1-3-9(4-2)7(11)5-6-10-8(9)12/h5-6H,3-4H2,1-2H3,(H,10,12)
InChI Key
NZASCBIBXNPDMH-UHFFFAOYSA-N
Formula
C9H13NO2
SMILES
CCC1(CC)C(=O)C=CNC1=O
Molecular Weight1
167.21
CAS
77-04-3
Other Names
  • 2,4(1H,3H)-Pyridinedione, 3,3-diethyl-
  • Benedorm
  • Didropyridine
  • Dihydroprylone
  • Nu 903
  • Persedon
  • Persidon
  • Presidon
  • Prezidon
  • Pyridion
  • Pyridione
  • Pyrithyldion
  • Tetridin
  • Tetridine
  • 3,3-Diethyl-2,4(1H,3H)-pyridinedione
  • 3,3-Diethyl-2,4-dioxotetrahydropyridine
  • 3,3-Diethylpyridine-2,4(1H,3H)-dione
  • 3,3-Diethyl-2,4-pyridinedione
  • 2,4-Dioxo-3,3-diethyltetrahydropyridine
  • 3,3-Diethyl-1H-pyridine-2,4-dione
  • NSC 89733
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Physical Properties

Property Value Unit Source
ΔfusH° 14.44 kJ/mol Joback Calculated Property
IE 8.57 eV Relay (1.0) Calculated Property
log10WS -1.30 Relay (1.0) Calculated Property
logPoct/wat 1.005 Crippen Calculated Property
McVol 135.630 ml/mol McGowan Calculated Property
Inp [1510.00; 1557.00]   Show Hide
Inp 1520.00 NIST
Inp 1530.00 NIST
Inp 1510.00 NIST
Inp 1557.00 NIST
Inp 1520.00 NIST
Tfus 412.59 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, 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.

Pressure Dependent Properties

Property Value Unit Pressure (kPa) Source
Tboilr 461.20 K 1.90 NIST

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [177.73; 474.23] 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-2.33280e+01
Coefficient B8.66840e-01
Coefficient C-5.18080e-04
Coefficient D1.48800e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 177.73 J/mol×K 273.00 Calculated Property
Cp,gas 225.09 J/mol×K 353.78 Calculated Property
Cp,gas 267.74 J/mol×K 434.56 Calculated Property
Cp,gas 306.16 J/mol×K 515.33 Calculated Property
Cp,gas 340.83 J/mol×K 596.11 Calculated Property
Cp,gas 372.20 J/mol×K 676.89 Calculated Property
Cp,gas 400.76 J/mol×K 757.67 Calculated Property
Cp,gas 426.97 J/mol×K 838.44 Calculated Property
Cp,gas 451.30 J/mol×K 919.22 Calculated Property
Cp,gas 474.23 J/mol×K 1000.00 Calculated Property

Similar Compounds

3,3-Diethyl-5-methyl-1,2,3,4-tetrahydropyridin-2,4-dione. Finasteride. Pyrazolo[1,5-d][1,2,4]triazin-3-one, 2,6-dimethyl-7,7-tetramethylene. Ginkgolide B, TMS ether. Ginkgolide A, TMS ether. Triamcinolone tetra-TMS. 11,12-Dehydro-«alpha»-isolupanine. 11,12-Dehydroaphylline. Dehydroaphylline. 5,6-Dehydro-17-oxosparteine. 2',3'-Di-O-acetyladenosine, N-trimethylsilyl-, trimethylsilyl ether. Inosine, 2',3',5'-tribenzoate. Riddelliine. Spartioidine. Seneciphylline.

Find more compounds similar to Pyrithyldione.

Sources

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