Chemical Properties of 1-(P-nitrobenzyl)-5-amyl-5-ethylbarbituric acid

1-(P-nitrobenzyl)-5-amyl-5-ethylbarbituric acid

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InChI
InChI=1S/C18H23N3O5/c1-3-5-6-11-18(4-2)15(22)19-17(24)20(16(18)23)12-13-7-9-14(10-8-13)21(25)26/h7-10H,3-6,11-12H2,1-2H3,(H,19,22,24)
InChI Key
LQJFANKQMOSOLM-UHFFFAOYSA-N
Formula
C18H23N3O5
SMILES
CCCCCC1(CC)C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(=O)N=C1O
Molecular Weight1
361.39
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Physical Properties

Property Value Unit Source
ω 0.9838 Relay (... Calculated Property
ΔfG° 34.33 kJ/mol Relay (... Calculated Property ⚠️
ΔfH°gas -519.08 kJ/mol Relay (... Calculated Property
ΔvapH° 131.78 kJ/mol Relay (... Calculated Property
IE 9.35 eV Relay (... Calculated Property
log10WS -4.54 Relay (... Calculated Property
logPoct/wat 3.990 Crippen Calculated Property
McVol 271.950 ml/mol McGowan Calculated Property
Pc 1514.16 kPa Relay (... Calculated Property ⚠️
Tboil 661.21 K Relay (... Calculated Property
Tc 991.69 K Relay (... Calculated Property
Tfus 389.43 K Relay (... Calculated Property
Vc 0.943 m3/kmol Relay (... Calculated Property

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Sources

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