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

• ω : Acentric Factor.
• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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 standard conditions (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).
• P_sub : Sublimation 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

Property	Value	Unit	Source
ω	0.5125		Relay (1.0) Calculated Property
ΔcH°solid	[-2592.40; -2592.00]	kJ/mol
ΔcH°solid	-2592.00	kJ/mol	NIST
ΔcH°solid	-2592.40	kJ/mol	NIST
ΔfG°	-54.09	kJ/mol	Joback Calculated Property
ΔfH°gas	-402.53	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	18.74	kJ/mol	Joback Calculated Property
ΔvapH°	80.08	kJ/mol	Relay (1.0) Calculated Property
IE	9.21	eV	Relay (1.0) Calculated Property
log10WS	-0.47		Relay (1.0) Calculated Property
logPoct/wat	-0.396		Crippen Calculated Property
McVol	93.550	ml/mol	McGowan Calculated Property
Pc	5304.68	kPa	Joback Calculated Property
Tboil	534.74	K	Relay (1.0) Calculated Property
Tc	782.13	K	Relay (1.0) Calculated Property
Tfus	463.03	K	Relay (1.0) Calculated Property
Vc	0.334	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[221.19; 295.01]	J/mol×K	[566.09; 826.71]
Cp,gas	221.19	J/mol×K	566.09	Joback Calculated Property
Cp,gas	235.27	J/mol×K	609.53	Joback Calculated Property
Cp,gas	248.80	J/mol×K	652.96	Joback Calculated Property
Cp,gas	261.65	J/mol×K	696.40	Joback Calculated Property
Cp,gas	273.71	J/mol×K	739.84	Joback Calculated Property
Cp,gas	284.87	J/mol×K	783.28	Joback Calculated Property
Cp,gas	295.01	J/mol×K	826.71	Joback Calculated Property
Psub	[1.27e-04; 1.11e-03]	kPa	[379.15; 401.16]
Psub	1.31e-04	kPa	379.15	Enthalpies of formation of 5,6-dihydro-5-methyluracil and 5,6-dihydro-6-methyluracil
Psub	1.27e-04	kPa	379.15	Enthalpies of formation of 5,6-dihydro-5-methyluracil and 5,6-dihydro-6-methyluracil
Psub	1.38e-04	kPa	379.15	Enthalpies of formation of 5,6-dihydro-5-methyluracil and 5,6-dihydro-6-methyluracil
Psub	1.68e-04	kPa	381.18	Enthalpies of formation of 5,6-dihydro-5-methyluracil and 5,6-dihydro-6-methyluracil
Psub	1.63e-04	kPa	381.18	Enthalpies of formation of 5,6-dihydro-5-methyluracil and 5,6-dihydro-6-methyluracil
Psub	1.57e-04	kPa	381.18	Enthalpies of formation of 5,6-dihydro-5-methyluracil and 5,6-dihydro-6-methyluracil
Psub	1.90e-04	kPa	383.14	Enthalpies of formation of 5,6-dihydro-5-methyluracil and 5,6-dihydro-6-methyluracil
Psub	1.98e-04	kPa	383.14	Enthalpies of formation of 5,6-dihydro-5-methyluracil and 5,6-dihydro-6-methyluracil
Psub	1.97e-04	kPa	383.14	Enthalpies of formation of 5,6-dihydro-5-methyluracil and 5,6-dihydro-6-methyluracil
Psub	2.34e-04	kPa	385.15	Enthalpies of formation of 5,6-dihydro-5-methyluracil and 5,6-dihydro-6-methyluracil
Psub	2.43e-04	kPa	385.15	Enthalpies of formation of 5,6-dihydro-5-methyluracil and 5,6-dihydro-6-methyluracil
Psub	2.42e-04	kPa	385.15	Enthalpies of formation of 5,6-dihydro-5-methyluracil and 5,6-dihydro-6-methyluracil
Psub	2.87e-04	kPa	387.19	Enthalpies of formation of 5,6-dihydro-5-methyluracil and 5,6-dihydro-6-methyluracil
Psub	3.01e-04	kPa	387.19	Enthalpies of formation of 5,6-dihydro-5-methyluracil and 5,6-dihydro-6-methyluracil
Psub	2.98e-04	kPa	387.19	Enthalpies of formation of 5,6-dihydro-5-methyluracil and 5,6-dihydro-6-methyluracil
Psub	3.46e-04	kPa	389.15	Enthalpies of formation of 5,6-dihydro-5-methyluracil and 5,6-dihydro-6-methyluracil
Psub	3.64e-04	kPa	389.15	Enthalpies of formation of 5,6-dihydro-5-methyluracil and 5,6-dihydro-6-methyluracil
Psub	3.59e-04	kPa	389.15	Enthalpies of formation of 5,6-dihydro-5-methyluracil and 5,6-dihydro-6-methyluracil
Psub	4.27e-04	kPa	391.15	Enthalpies of formation of 5,6-dihydro-5-methyluracil and 5,6-dihydro-6-methyluracil
Psub	4.20e-04	kPa	391.15	Enthalpies of formation of 5,6-dihydro-5-methyluracil and 5,6-dihydro-6-methyluracil
Psub	4.42e-04	kPa	391.15	Enthalpies of formation of 5,6-dihydro-5-methyluracil and 5,6-dihydro-6-methyluracil
Psub	5.21e-04	kPa	393.19	Enthalpies of formation of 5,6-dihydro-5-methyluracil and 5,6-dihydro-6-methyluracil
Psub	5.08e-04	kPa	393.19	Enthalpies of formation of 5,6-dihydro-5-methyluracil and 5,6-dihydro-6-methyluracil
Psub	5.38e-04	kPa	393.19	Enthalpies of formation of 5,6-dihydro-5-methyluracil and 5,6-dihydro-6-methyluracil
Psub	6.32e-04	kPa	395.16	Enthalpies of formation of 5,6-dihydro-5-methyluracil and 5,6-dihydro-6-methyluracil
Psub	6.33e-04	kPa	395.16	Enthalpies of formation of 5,6-dihydro-5-methyluracil and 5,6-dihydro-6-methyluracil
Psub	6.13e-04	kPa	395.16	Enthalpies of formation of 5,6-dihydro-5-methyluracil and 5,6-dihydro-6-methyluracil
Psub	7.86e-04	kPa	397.15	Enthalpies of formation of 5,6-dihydro-5-methyluracil and 5,6-dihydro-6-methyluracil
Psub	7.56e-04	kPa	397.15	Enthalpies of formation of 5,6-dihydro-5-methyluracil and 5,6-dihydro-6-methyluracil
Psub	7.37e-04	kPa	397.15	Enthalpies of formation of 5,6-dihydro-5-methyluracil and 5,6-dihydro-6-methyluracil
Psub	9.06e-04	kPa	399.19	Enthalpies of formation of 5,6-dihydro-5-methyluracil and 5,6-dihydro-6-methyluracil
Psub	9.51e-04	kPa	399.19	Enthalpies of formation of 5,6-dihydro-5-methyluracil and 5,6-dihydro-6-methyluracil
Psub	8.82e-04	kPa	399.19	Enthalpies of formation of 5,6-dihydro-5-methyluracil and 5,6-dihydro-6-methyluracil
Psub	1.11e-03	kPa	401.16	Enthalpies of formation of 5,6-dihydro-5-methyluracil and 5,6-dihydro-6-methyluracil
Psub	1.10e-03	kPa	401.16	Enthalpies of formation of 5,6-dihydro-5-methyluracil and 5,6-dihydro-6-methyluracil
Psub	1.07e-03	kPa	401.16	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)
• 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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