Chemical Properties of 2,4(1H,3H)-Pyrimidinedione, 1,3,5-trimethyl- (CAS 4401-71-2)

InChI

InChI=1S/C7H10N2O2/c1-5-4-8(2)7(11)9(3)6(5)10/h4H,1-3H3

InChI Key

BHWQEVXICGSHEW-UHFFFAOYSA-N

Formula

C7H10N2O2

SMILES

Cc1cn(C)c(=O)n(C)c1=O

Molecular Weight¹

154.17

CAS

4401-71-2

Other Names

• Uracil, 1,3,5-trimethyl-
• 1,3-Dimethylthymine

• ω : Acentric Factor.
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_subH : Enthalpy of sublimation at a given temperature (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (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).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ΔfusH	16.10	kJ/mol	428.70	NIST
ΔsubH	[103.50; 109.20]	kJ/mol	[326.00; 338.00]
ΔsubH	103.50 ± 1.50	kJ/mol	326.00	NIST
ΔsubH	109.20 ± 2.10	kJ/mol	338.00	NIST

Similar Compounds

Find more compounds similar to 2,4(1H,3H)-Pyrimidinedione, 1,3,5-trimethyl-.

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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