Chemical Properties of 5-Piperonylidenebarbituric acid (CAS 4551-03-5)

5-Piperonylidenebarbituric acid

InChI
InChI=1S/C12H8N2O5/c15-10-7(11(16)14-12(17)13-10)3-6-1-2-8-9(4-6)19-5-18-8/h1-4H,5H2,(H2,13,14,15,16,17)
InChI Key
NSJGTQPGBBWIIQ-UHFFFAOYSA-N
Formula
C12H8N2O5
SMILES
O=C1N=C(O)C(=Cc2ccc3c(c2)OCO3)C(O)=N1
Molecular Weight1
260.20
CAS
4551-03-5
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Physical Properties

Property Value Unit Source
ΔfusH° 43.84 kJ/mol Joback Calculated Property
log10WS -3.47 Relay (1.0) Calculated Property
logPoct/wat 1.845 Crippen Calculated Property
McVol 166.570 ml/mol McGowan Calculated Property
Tboil 626.81 K Relay (1.0) Calculated Property
Tfus 518.67 K Relay (1.0) Calculated Property

Cheméo can also estimate 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, Ionization energy 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 [233.21; 547.44] 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 A9.70000e+00
Coefficient B9.24060e-01
Coefficient C-3.85620e-04
Coefficient D-7.00000e-10
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 233.21 J/mol×K 273.00 Calculated Property
Cp,gas 288.32 J/mol×K 353.78 Calculated Property
Cp,gas 338.38 J/mol×K 434.56 Calculated Property
Cp,gas 383.39 J/mol×K 515.33 Calculated Property
Cp,gas 423.36 J/mol×K 596.11 Calculated Property
Cp,gas 458.29 J/mol×K 676.89 Calculated Property
Cp,gas 488.16 J/mol×K 757.67 Calculated Property
Cp,gas 512.97 J/mol×K 838.44 Calculated Property
Cp,gas 532.74 J/mol×K 919.22 Calculated Property
Cp,gas 547.44 J/mol×K 1000.00 Calculated Property

Similar Compounds

5-Vanillylidene barbituric acid. Tanshinone II-b. (E)-(1R,2S,4R)-1,7,7-Trimethylbicyclo[2.2.1]heptan-2-yl 3-(benzo[d][1,3]dioxol-5-yl)acrylate. (7R,8S)-8-(4-Hydroxy-3-methoxyphenyl)-3-methoxy-6,7-dimethyl-7,8-dihydronaphthalen-2-ol. oxazolam, acetylated. Protopine-M (demethylene-methyl-) isomer-1, AC. Poligodial + p-Tyr (ethyl ester) adduct (S), acetylated, # 2. Morazone. Cytidine, dimethyl-TMS derivative. Dimetindene M (nor, OH), acetylated. Poligodial + o-Tyr (ethyl ester) adduct (R,S). Poligodial + p-Tyr (ethyl ester) adduct (S). Poligodial + p-Tyr (ethyl ester) adduct (S), acetylated, # 1. Spiperone. Protopine.

Find more compounds similar to 5-Piperonylidenebarbituric acid.

Sources

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