Chemical Properties of 5,6-Dihydro-6-methyluracil (CAS 2434-49-3)

InChI

InChI=1S/C5H8N2O2/c1-3-2-4(8)7-5(9)6-3/h3H,2H2,1H3,(H2,6,7,8,9)

InChI Key

XQLIRTZXJDEQAO-UHFFFAOYSA-N

Formula

C5H8N2O2

SMILES

CC1CC(=O)NC(=O)N1

Molecular Weight¹

128.13

CAS

2434-49-3

Other Names

• 2,4(1H,3H)-Pyrimidinedione, dihydro-6-methyl-
• 4-Methyldihydrouracil
• 6-Methyldihydro-2,4(1H,3H)-pyrimidinedione
• 6-methyl-5,6-dihydrouracil
• 6-methyldihydropyrimidine-2,4(1H,3H)-dione
• 6-methyldihydrouracil
• Dihydro-6-methyluracil
• Hydrouracil, 6-methyl-
• Metacil, dihydro-
• NSC 44127

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_sub : Sublimation pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°solid	[-2592.40; -2592.00]	kJ/mol
ΔcH°solid	-2592.00	kJ/mol	NIST
ΔcH°solid	-2592.40	kJ/mol	NIST
ΔfusH°	18.74	kJ/mol	Joback Calculated Property
logPoct/wat	-0.396		Crippen Calculated Property
McVol	93.550	ml/mol	McGowan Calculated Property
Tboil	534.74	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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, Ionization energy, Log10 of Water solubility in mol/l 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
Cp,gas	[221.26; 295.07]	J/mol×K	[566.29; 827.01]
Cp,gas	221.26	J/mol×K	566.29	Joback Calculated Property
Cp,gas	235.34	J/mol×K	609.74	Joback Calculated Property
Cp,gas	248.87	J/mol×K	653.20	Joback Calculated Property
Cp,gas	261.72	J/mol×K	696.65	Joback Calculated Property
Cp,gas	273.78	J/mol×K	740.10	Joback Calculated Property
Cp,gas	284.94	J/mol×K	783.55	Joback Calculated Property
Cp,gas	295.07	J/mol×K	827.01	Joback Calculated Property
Psub	[1.39e-04; 1.20e-03]	kPa	[371.15; 393.16]
Psub	1.39e-04	kPa	371.15	Enthalpies of formation of 5,6-dihydro-5-methyluracil and 5,6-dihydro-6-methyluracil
Psub	1.44e-04	kPa	371.15	Enthalpies of formation of 5,6-dihydro-5-methyluracil and 5,6-dihydro-6-methyluracil
Psub	1.52e-04	kPa	371.15	Enthalpies of formation of 5,6-dihydro-5-methyluracil and 5,6-dihydro-6-methyluracil
Psub	1.71e-04	kPa	373.18	Enthalpies of formation of 5,6-dihydro-5-methyluracil and 5,6-dihydro-6-methyluracil
Psub	1.81e-04	kPa	373.18	Enthalpies of formation of 5,6-dihydro-5-methyluracil and 5,6-dihydro-6-methyluracil
Psub	1.71e-04	kPa	373.18	Enthalpies of formation of 5,6-dihydro-5-methyluracil and 5,6-dihydro-6-methyluracil
Psub	2.11e-04	kPa	375.12	Enthalpies of formation of 5,6-dihydro-5-methyluracil and 5,6-dihydro-6-methyluracil
Psub	2.18e-04	kPa	375.12	Enthalpies of formation of 5,6-dihydro-5-methyluracil and 5,6-dihydro-6-methyluracil
Psub	2.11e-04	kPa	375.12	Enthalpies of formation of 5,6-dihydro-5-methyluracil and 5,6-dihydro-6-methyluracil
Psub	2.62e-04	kPa	377.15	Enthalpies of formation of 5,6-dihydro-5-methyluracil and 5,6-dihydro-6-methyluracil
Psub	2.53e-04	kPa	377.15	Enthalpies of formation of 5,6-dihydro-5-methyluracil and 5,6-dihydro-6-methyluracil
Psub	2.58e-04	kPa	377.15	Enthalpies of formation of 5,6-dihydro-5-methyluracil and 5,6-dihydro-6-methyluracil
Psub	3.11e-04	kPa	379.19	Enthalpies of formation of 5,6-dihydro-5-methyluracil and 5,6-dihydro-6-methyluracil
Psub	3.26e-04	kPa	379.19	Enthalpies of formation of 5,6-dihydro-5-methyluracil and 5,6-dihydro-6-methyluracil
Psub	3.02e-04	kPa	379.19	Enthalpies of formation of 5,6-dihydro-5-methyluracil and 5,6-dihydro-6-methyluracil
Psub	3.86e-04	kPa	381.13	Enthalpies of formation of 5,6-dihydro-5-methyluracil and 5,6-dihydro-6-methyluracil
Psub	3.78e-04	kPa	381.13	Enthalpies of formation of 5,6-dihydro-5-methyluracil and 5,6-dihydro-6-methyluracil
Psub	3.95e-04	kPa	381.13	Enthalpies of formation of 5,6-dihydro-5-methyluracil and 5,6-dihydro-6-methyluracil
Psub	4.64e-04	kPa	383.15	Enthalpies of formation of 5,6-dihydro-5-methyluracil and 5,6-dihydro-6-methyluracil
Psub	4.50e-04	kPa	383.15	Enthalpies of formation of 5,6-dihydro-5-methyluracil and 5,6-dihydro-6-methyluracil
Psub	4.82e-04	kPa	383.15	Enthalpies of formation of 5,6-dihydro-5-methyluracil and 5,6-dihydro-6-methyluracil
Psub	5.81e-04	kPa	385.18	Enthalpies of formation of 5,6-dihydro-5-methyluracil and 5,6-dihydro-6-methyluracil
Psub	5.73e-04	kPa	385.18	Enthalpies of formation of 5,6-dihydro-5-methyluracil and 5,6-dihydro-6-methyluracil
Psub	5.45e-04	kPa	385.18	Enthalpies of formation of 5,6-dihydro-5-methyluracil and 5,6-dihydro-6-methyluracil
Psub	6.92e-04	kPa	387.14	Enthalpies of formation of 5,6-dihydro-5-methyluracil and 5,6-dihydro-6-methyluracil
Psub	6.88e-04	kPa	387.14	Enthalpies of formation of 5,6-dihydro-5-methyluracil and 5,6-dihydro-6-methyluracil
Psub	6.70e-04	kPa	387.14	Enthalpies of formation of 5,6-dihydro-5-methyluracil and 5,6-dihydro-6-methyluracil
Psub	8.46e-04	kPa	389.15	Enthalpies of formation of 5,6-dihydro-5-methyluracil and 5,6-dihydro-6-methyluracil
Psub	8.35e-04	kPa	389.15	Enthalpies of formation of 5,6-dihydro-5-methyluracil and 5,6-dihydro-6-methyluracil
Psub	7.96e-04	kPa	389.15	Enthalpies of formation of 5,6-dihydro-5-methyluracil and 5,6-dihydro-6-methyluracil
Psub	9.94e-04	kPa	391.19	Enthalpies of formation of 5,6-dihydro-5-methyluracil and 5,6-dihydro-6-methyluracil
Psub	9.66e-04	kPa	391.19	Enthalpies of formation of 5,6-dihydro-5-methyluracil and 5,6-dihydro-6-methyluracil
Psub	1.20e-03	kPa	393.16	Enthalpies of formation of 5,6-dihydro-5-methyluracil and 5,6-dihydro-6-methyluracil
Psub	1.20e-03	kPa	393.16	Enthalpies of formation of 5,6-dihydro-5-methyluracil and 5,6-dihydro-6-methyluracil
Psub	1.16e-03	kPa	393.16	Enthalpies of formation of 5,6-dihydro-5-methyluracil and 5,6-dihydro-6-methyluracil

Similar Compounds

Find more compounds similar to 5,6-Dihydro-6-methyluracil.

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
• Enthalpies of formation of 5,6-dihydro-5-methyluracil and 5,6-dihydro-6-methyluracil
• Joback Method
• McGowan Method
• NIST Webbook

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