Chemical Properties of 5-Vanillylidene barbituric acid (CAS 40367-32-6)

5-Vanillylidene barbituric acid

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InChI
InChI=1S/C12H10N2O5/c1-19-9-5-6(2-3-8(9)15)4-7-10(16)13-12(18)14-11(7)17/h2-5,15H,1H3,(H2,13,14,16,17,18)
InChI Key
HOHGWOUABYDGBN-UHFFFAOYSA-N
Formula
C12H10N2O5
SMILES
COc1cc(C=C2C(O)=NC(=O)N=C2O)ccc1O
Molecular Weight1
262.22
CAS
40367-32-6
Sources

Physical Properties

Property Value Unit Source
Δf -151.07 kJ/mol Joback Calculated Property
Δfgas -432.39 kJ/mol Joback Calculated Property
Δfus 38.17 kJ/mol Joback Calculated Property
Δvap 114.13 kJ/mol Joback Calculated Property
logPoct/wat 1.83 Crippen Calculated Property
Pc 5160.85 kPa Joback Calculated Property
Tboil 1007.38 K Joback Calculated Property
Tc 1252.10 K Joback Calculated Property
Tfus 779.37 K Joback Calculated Property
Vc 0.62 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 580.59 J/mol×K 1007.38 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
>C=O (ring) 1
=CH- (ring) 3
-OH (alcohol) 2
=C< (ring) 6
-N= (ring) 2
=CH- 1
-CH3 1
-OH (phenol) 1

Similar Compounds

5-Furfurylidenebarbituric acid. 2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-, 2,3-dihydroxypropyl ester, (2E)-. 2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-, methyl ester. Ferulic acid ethyl ester. trans-Ferulic acid, 2TMS. Trimethylsilyl 3-methoxy-4-(trimethylsilyloxy)cinnamate. Ferulic acid, 2,3-bis((trimethylsilyl)oxy)propyl ester. Methyl 4-hydroxy-3,5-dimethoxycinnamate (methyl sinapate). 2-Propenoic acid, 3-(3,4-dimethoxyphenyl)-, methyl ester, trans. 2-Propenoic acid, 3-(3,4,5-trimethoxyphenyl)-, methyl ester, cis. 2-Propenoic acid, 3-(3,4-dimethoxyphenyl)-, methyl ester. Cinnamic acid, 3,4-dimethoxy-, trimethylsilyl ester. Ethyl 3-(3,4-dimethoxyphenyl)acrylate. 2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-. trans-Ferulic acid.

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