Chemical Properties of 1-Methyl-5-fluorouracil (CAS 155-16-8)

InChI

InChI=1S/C5H5FN2O2/c1-8-2-3(6)4(9)7-5(8)10/h2H,1H3,(H,7,9,10)

InChI Key

PPCVYQHUOMISIG-UHFFFAOYSA-N

Formula

C5H5FN2O2

SMILES

Cn1cc(F)c(=O)[nH]c1=O

Molecular Weight¹

144.10

CAS

155-16-8

• Δ_subH : Enthalpy of sublimation at a given temperature (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

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 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	[116.00; 126.00]	kJ/mol	[402.00; 497.50]
ΔsubH	116.00 ± 2.00	kJ/mol	402.00	NIST
ΔsubH	126.00 ± 8.00	kJ/mol	497.50	NIST

Similar Compounds

Find more compounds similar to 1-Methyl-5-fluorouracil.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• McGowan Method
• NIST Webbook

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