Chemical Properties of 1,3-Dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone (CAS 7226-23-5)

InChI

InChI=1S/C6H12N2O/c1-7-4-3-5-8(2)6(7)9/h3-5H2,1-2H3

InChI Key

GUVUOGQBMYCBQP-UHFFFAOYSA-N

Formula

C6H12N2O

SMILES

CN1CCCN(C)C1=O

Molecular Weight¹

128.17

CAS

7226-23-5

Other Names

• 1,3-Dimethyl-tetrahydro-2(1H)-pyrimidone
• 1,3-Dimethyltetrahydro-2(1H)-pyrimidinone
• 1,3-dimethylpropyleneurea
• 2(1H)-Pyrimidinone, tetrahydro-1,3-dimethyl-
• 2(1H)-pryminidone, 3,4,5,6-tetrahydro-1,3-dimethyl-
• N,N'-Dimethyltrimethyleneurea
• Tetrahydro-1,3-dimethyl-2(1H)pyrimidin-2-onee
• tetrahydro-1,3-dimethyl-1H-pyrimidin-2-one

• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization 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).
• P_c : Critical Pressure (kPa).
• n₀ : Refractive Index.
• ρ_l : Liquid Density (kg/m³).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate 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
ΔvapH	58.00	kJ/mol	445.00	NIST
n0	1.48780		298.15	D2O-H2O solvent isotope effects on the enthalpy of 1,3- dimethylpropyleneurea hydration at temperatures from (278.15 to 313.15) K and atmospheric pressure
ρl	[1042.78; 1076.18]	kg/m3	[278.15; 318.15]
ρl	1076.18	kg/m3	278.15	Volume-related interaction parameters for dilute solutions of 1,3-dimethylpropyleneurea in normal and heavy water between 278.15 K and 318.15 K
ρl	1067.81	kg/m3	288.15	Volume-related interaction parameters for dilute solutions of 1,3-dimethylpropyleneurea in normal and heavy water between 278.15 K and 318.15 K
ρl	1065.00	kg/m3	293.15	Investigation of the Solubilities of Carbon Dioxide in Some Low Volatile Solvents and Their Thermodynamic Properties
ρl	1059.46	kg/m3	298.15	Volume-related interaction parameters for dilute solutions of 1,3-dimethylpropyleneurea in normal and heavy water between 278.15 K and 318.15 K
ρl	1051.12	kg/m3	308.15	Volume-related interaction parameters for dilute solutions of 1,3-dimethylpropyleneurea in normal and heavy water between 278.15 K and 318.15 K
ρl	1046.95	kg/m3	313.15	Volume-related interaction parameters for dilute solutions of 1,3-dimethylpropyleneurea in normal and heavy water between 278.15 K and 318.15 K
ρl	1042.78	kg/m3	318.15	Volume-related interaction parameters for dilute solutions of 1,3-dimethylpropyleneurea in normal and heavy water between 278.15 K and 318.15 K

Similar Compounds

Find more compounds similar to 1,3-Dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone.

Mixtures

• Water + 1,3-Dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone
• Sulfur dioxide + 1,3-Dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone
• Carbon dioxide + 1,3-Dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone

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
• Solubility and thermodynamic properties of SO2 in three low volatile urea derivatives
• Volume-related interaction parameters for dilute solutions of 1,3-dimethylpropyleneurea in normal and heavy water between 278.15 K and 318.15 K
• D2O-H2O solvent isotope effects on the enthalpy of 1,3- dimethylpropyleneurea hydration at temperatures from (278.15 to 313.15) K and atmospheric pressure
• Enthalpy-related interaction parameters in H/D isotopically distinguishable aqueous solutions of tetramethylurea cyclic derivatives at 298.15 K
• Investigation of the Solubilities of Carbon Dioxide in Some Low Volatile Solvents and Their Thermodynamic Properties
• McGowan Method
• NIST Webbook

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