Chemical Properties of Uracil, 1-methyl- (CAS 615-77-0)

InChI

InChI=1S/C5H6N2O2/c1-7-3-2-4(8)6-5(7)9/h2-3H,1H3,(H,6,8,9)

InChI Key

XBCXJKGHPABGSD-UHFFFAOYSA-N

Formula

C5H6N2O2

SMILES

Cn1ccc(=O)[nH]c1=O

Molecular Weight¹

126.11

CAS

615-77-0

Other Names

• 1-Methyluracil
• 2,4(1H,3H)-Pyrimidinedione, 1-methyl-

• 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

Property	Value	Unit	Source
IE	9.00 ± 0.10	eV	NIST
log10WS	[-0.81; -0.80]
log10WS	-0.80		Aq. Sol...
log10WS	-0.81		Estimat...
logPoct/wat	-1.408		Crippen Calculated Property
McVol	89.250	ml/mol	McGowan Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ΔsubH	[105.00; 121.70]	kJ/mol	[385.50; 457.50]
ΔsubH	121.70 ± 4.00	kJ/mol	385.50	NIST
ΔsubH	112.50 ± 2.60	kJ/mol	398.00	NIST
ΔsubH	105.00 ± 8.00	kJ/mol	457.50	NIST

Similar Compounds

Find more compounds similar to Uracil, 1-methyl-.

Sources

• Crippen Method
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook

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