Chemical Properties of 4(3H)-Pyrimidonep

4(3H)-Pyrimidonep

InChI
InChI=1S/C4H4N2O/c7-4-1-2-5-3-6-4/h2-3H,1H2
InChI Key
TZYQTWHRLVDYPL-UHFFFAOYSA-N
Formula
C4H4N2O
SMILES
O=C1CC=NC=N1
Molecular Weight1
96.09
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Physical Properties

Property Value Unit Source
ΔfusH° 9.11 kJ/mol Joback Calculated Property
log10WS 0.59 Aq. Solubility Prediction
logPoct/wat 0.016 Crippen Calculated Property
McVol 69.290 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, 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 [84.23; 249.92] 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-6.46000e+00
Coefficient B3.19060e-01
Coefficient C8.97200e-05
Coefficient D-1.52400e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 84.23 J/mol×K 273.00 Calculated Property
Cp,gas 110.90 J/mol×K 353.78 Calculated Property
Cp,gas 136.63 J/mol×K 434.56 Calculated Property
Cp,gas 160.93 J/mol×K 515.33 Calculated Property
Cp,gas 183.33 J/mol×K 596.11 Calculated Property
Cp,gas 203.35 J/mol×K 676.89 Calculated Property
Cp,gas 220.50 J/mol×K 757.67 Calculated Property
Cp,gas 234.30 J/mol×K 838.44 Calculated Property
Cp,gas 244.27 J/mol×K 919.22 Calculated Property
Cp,gas 249.92 J/mol×K 1000.00 Calculated Property

Similar Compounds

1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-5-oxo-1-phenyl-, ethyl ester. Pyridine, 2,3,4,5-tetrahydro-. L-Glutamine, N,N'-bis(dimethylaminomethylene)-, methyl ester. Urea,] 1,1'-trimethylenebis[3-(1,2,3,4-tetrahydro-2,4-dioxo-5-pyrimidinyl)-. 7,14-Methano-4H,6H-dipyrido[1,2-a:1',2'-e][1,5]diazocin-4-one, 1,2,3,7,9,10,11,13,14,14a-decahydro-, [7S-(7«alpha»,14«alpha»,14a«alpha»)]-. 2,6-Diphenyltetrahydrothiopyran-4-one s,s-dioxide. 2-octyl-4-ethyl-3-thiazoline. 5,6-Dimethyluracil, TMS. Methanimine, 1-(4-morpholino)-N-propyl. (6R,7S,8S)-8-(4-Hydroxy-3-methoxyphenyl)-3-methoxy-6,7-dimethyl-5,6,7,8-tetrahydronaphthalen-2-ol. 7,14-Methano-4H,6H-dipyrido[1,2-a:1',2'-e][1,5]diazocin-4-one, 2,3,7,7a,8,9,10,11,13,14-decahydro-, [7S-(7«alpha»,7a«beta»,14«alpha»)]-. Tolpropamine M (bis-nor), acetylated. 2-Pyrrolidinone, 1-(1-(4-methylbenzoyl)ethyl). 5-Amino-2-pyridone. 1-(2-Acetoxyethyl)-4-[3-acetyl(isopropyl)aminoprop-2-enyloxy]benzene.

Find more compounds similar to 4(3H)-Pyrimidonep.

Sources

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