Chemical Properties of 2,4(1H,3H)-Pyrimidinedione, 5-amino- (CAS 932-52-5)

InChI

InChI=1S/C4H5N3O2/c5-2-1-6-4(9)7-3(2)8/h1H,5H2,(H2,6,7,8,9)

InChI Key

BISHACNKZIBDFM-UHFFFAOYSA-N

Formula

C4H5N3O2

SMILES

Nc1c[nH]c(=O)[nH]c1=O

Molecular Weight¹

127.10

CAS

932-52-5

Other Names

• 2,4-Dihydroxy-5-aminopyrimidine
• 5-Amino-2,4-dihydroxypyrimidine
• 5-amino-2,4(1H,3H)-pyrimidinedione
• 5-aminouracil
• Uracil, 5-amino-

• ω : Acentric Factor.
• C_p,solid : Solid phase 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_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

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,solid	[145.00; 151.30]	J/mol×K	[298.15; 343.15]
Cp,solid	145.00	J/mol×K	298.15	Molar Heat Capacities of Aminouracils by Differential Scanning Calorimetry
Cp,solid	145.50	J/mol×K	303.15	Molar Heat Capacities of Aminouracils by Differential Scanning Calorimetry
Cp,solid	146.20	J/mol×K	308.15	Molar Heat Capacities of Aminouracils by Differential Scanning Calorimetry
Cp,solid	147.00	J/mol×K	313.15	Molar Heat Capacities of Aminouracils by Differential Scanning Calorimetry
Cp,solid	148.00	J/mol×K	318.15	Molar Heat Capacities of Aminouracils by Differential Scanning Calorimetry
Cp,solid	148.40	J/mol×K	323.15	Molar Heat Capacities of Aminouracils by Differential Scanning Calorimetry
Cp,solid	149.10	J/mol×K	328.15	Molar Heat Capacities of Aminouracils by Differential Scanning Calorimetry
Cp,solid	150.00	J/mol×K	333.15	Molar Heat Capacities of Aminouracils by Differential Scanning Calorimetry
Cp,solid	150.60	J/mol×K	338.15	Molar Heat Capacities of Aminouracils by Differential Scanning Calorimetry
Cp,solid	151.30	J/mol×K	343.15	Molar Heat Capacities of Aminouracils by Differential Scanning Calorimetry
Psub	[1.94e-05; 9.97e-05]	kPa	[433.11; 453.10]
Psub	1.94e-05	kPa	433.11	Vapour pressures, molar enthalpies of sublimation, and molar enthalpies of solution in water of selected amino derivatives of uracil and 5-nitrouracil
Psub	2.07e-05	kPa	433.16	Vapour pressures, molar enthalpies of sublimation, and molar enthalpies of solution in water of selected amino derivatives of uracil and 5-nitrouracil
Psub	2.56e-05	kPa	436.70	Vapour pressures, molar enthalpies of sublimation, and molar enthalpies of solution in water of selected amino derivatives of uracil and 5-nitrouracil
Psub	3.33e-05	kPa	438.65	Vapour pressures, molar enthalpies of sublimation, and molar enthalpies of solution in water of selected amino derivatives of uracil and 5-nitrouracil
Psub	3.89e-05	kPa	440.48	Vapour pressures, molar enthalpies of sublimation, and molar enthalpies of solution in water of selected amino derivatives of uracil and 5-nitrouracil
Psub	4.79e-05	kPa	442.32	Vapour pressures, molar enthalpies of sublimation, and molar enthalpies of solution in water of selected amino derivatives of uracil and 5-nitrouracil
Psub	5.23e-05	kPa	444.14	Vapour pressures, molar enthalpies of sublimation, and molar enthalpies of solution in water of selected amino derivatives of uracil and 5-nitrouracil
Psub	5.37e-05	kPa	445.07	Vapour pressures, molar enthalpies of sublimation, and molar enthalpies of solution in water of selected amino derivatives of uracil and 5-nitrouracil
Psub	6.02e-05	kPa	445.96	Vapour pressures, molar enthalpies of sublimation, and molar enthalpies of solution in water of selected amino derivatives of uracil and 5-nitrouracil
Psub	5.71e-05	kPa	445.97	Vapour pressures, molar enthalpies of sublimation, and molar enthalpies of solution in water of selected amino derivatives of uracil and 5-nitrouracil
Psub	6.66e-05	kPa	447.76	Vapour pressures, molar enthalpies of sublimation, and molar enthalpies of solution in water of selected amino derivatives of uracil and 5-nitrouracil
Psub	9.97e-05	kPa	453.10	Vapour pressures, molar enthalpies of sublimation, and molar enthalpies of solution in water of selected amino derivatives of uracil and 5-nitrouracil

Similar Compounds

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

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
• Experimental study on the thermochemistry of some amino derivatives of uracil
• Vapour pressures, molar enthalpies of sublimation, and molar enthalpies of solution in water of selected amino derivatives of uracil and 5-nitrouracil
• Molar Heat Capacities of Aminouracils by Differential Scanning Calorimetry
• McGowan Method
• NIST Webbook

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