Chemical Properties of 5-CHLOROURACIL

5-CHLOROURACIL

InChI
InChI=1S/C4H3ClN2O2/c5-2-1-6-4(9)7-3(2)8/h1H,(H2,6,7,8,9)
InChI Key
ZFTBZKVVGZNMJR-UHFFFAOYSA-N
Formula
C4H3ClN2O2
SMILES
O=c1[nH]cc(Cl)c(=O)[nH]1
Molecular Weight1
146.53
Other Names
  • Uracil, 5-chloro-
  • 5-Chlorouracil
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Physical Properties

Property Value Unit Source
ΔfH°gas -291.29 kJ/mol Relay (1.0) Calculated Property
ΔsubH° 148.30 ± 2.40 kJ/mol NIST
ΔvapH° 99.39 kJ/mol Relay (1.0) Calculated Property
IE 9.33 eV Relay (1.0) Calculated Property
log10WS -0.76 Relay (1.0) Calculated Property
logPoct/wat -1.247 Crippen Calculated Property
McVol 87.400 ml/mol McGowan Calculated Property
Tfus 484.67 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, 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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
ΔsubH 145.50 kJ/mol 407.00 NIST

Similar Compounds

Uracil. 2,4-Pyrimidinedione, 5-fluoro-. 5-Iodouracil. 2,4(1H,3H)-Pyrimidinedione, 5-bromo-. 2,4(1H,3H)-Pyrimidinedione, 5-methyl-. 2,4(1H,3H)-Pyrimidinedione, 5-(trifluoromethyl)-. 2,4(1H,3H)-Pyrimidinedione, 5-amino-. 2,4(1H,3H)-Pyrimidinedione, 5-nitro-. Uracil, 1-methyl-. 2,4(1H,3H)-Pyrimidinedione, 5-[bis(2-chloroethyl)amino]-. Urea, 1-methyl-3-(1,2,3,4-tetrahydro-2,4-dioxo-5-pyrimidinyl)-. Urea, 1-methyl-1-nitroso-3-[(1,2,3,4-tetrahydro-2,4-dioxo-5-pyrimidinyl)methyl-. 1-Methyl-5-fluorouracil. Urea, 1-methyl-1-nitroso-3-(1,2,3,4-tetrahydro-2,4-dioxo-5-pyrimidinyl)-. 1-Methylthymine.

Find more compounds similar to 5-CHLOROURACIL.

Sources

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