Chemical Properties of 6-Chlorouracil

InChI

InChI=1S/C4H3ClN2O2/c5-2-1-3(8)7-4(9)6-2/h1H,(H2,6,7,8,9)

InChI Key

PKUFNWPSFCOSLU-UHFFFAOYSA-N

Formula

C4H3ClN2O2

SMILES

O=c1cc(Cl)[nH]c(=O)[nH]1

Molecular Weight¹

146.53

Other Names

• 2,4(1H,3H)-Pyrimidinedione, 6-chloro-

• C_p,solid : Solid phase heat capacity (J/mol×K).
• Δ_subH° : Enthalpy of sublimation at standard conditions (kJ/mol).
• Δ_subH : Enthalpy of sublimation at a given temperature (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, 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 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,solid	[1.77; 147.90]	J/mol×K	[10.25; 343.15]
Cp,solid	1.77	J/mol×K	10.25	Calorimetric studies on two halogenated uracil isomers
Cp,solid	2.31	J/mol×K	11.34	Calorimetric studies on two halogenated uracil isomers
Cp,solid	3.02	J/mol×K	12.58	Calorimetric studies on two halogenated uracil isomers
Cp,solid	3.91	J/mol×K	13.97	Calorimetric studies on two halogenated uracil isomers
Cp,solid	4.99	J/mol×K	15.49	Calorimetric studies on two halogenated uracil isomers
Cp,solid	6.32	J/mol×K	17.19	Calorimetric studies on two halogenated uracil isomers
Cp,solid	7.91	J/mol×K	19.09	Calorimetric studies on two halogenated uracil isomers
Cp,solid	9.70	J/mol×K	21.19	Calorimetric studies on two halogenated uracil isomers
Cp,solid	11.78	J/mol×K	23.51	Calorimetric studies on two halogenated uracil isomers
Cp,solid	14.10	J/mol×K	26.09	Calorimetric studies on two halogenated uracil isomers
Cp,solid	16.74	J/mol×K	28.91	Calorimetric studies on two halogenated uracil isomers
Cp,solid	19.59	J/mol×K	32.12	Calorimetric studies on two halogenated uracil isomers
Cp,solid	22.58	J/mol×K	35.65	Calorimetric studies on two halogenated uracil isomers
Cp,solid	25.93	J/mol×K	39.54	Calorimetric studies on two halogenated uracil isomers
Cp,solid	29.29	J/mol×K	43.88	Calorimetric studies on two halogenated uracil isomers
Cp,solid	32.81	J/mol×K	48.68	Calorimetric studies on two halogenated uracil isomers
Cp,solid	36.60	J/mol×K	54.02	Calorimetric studies on two halogenated uracil isomers
Cp,solid	40.61	J/mol×K	59.94	Calorimetric studies on two halogenated uracil isomers
Cp,solid	44.81	J/mol×K	66.52	Calorimetric studies on two halogenated uracil isomers
Cp,solid	48.95	J/mol×K	73.83	Calorimetric studies on two halogenated uracil isomers
Cp,solid	53.22	J/mol×K	81.96	Calorimetric studies on two halogenated uracil isomers
Cp,solid	57.53	J/mol×K	90.91	Calorimetric studies on two halogenated uracil isomers
Cp,solid	61.78	J/mol×K	100.89	Calorimetric studies on two halogenated uracil isomers
Cp,solid	66.68	J/mol×K	111.04	Calorimetric studies on two halogenated uracil isomers
Cp,solid	70.82	J/mol×K	121.13	Calorimetric studies on two halogenated uracil isomers
Cp,solid	74.92	J/mol×K	131.15	Calorimetric studies on two halogenated uracil isomers
Cp,solid	78.76	J/mol×K	141.29	Calorimetric studies on two halogenated uracil isomers
Cp,solid	82.60	J/mol×K	151.38	Calorimetric studies on two halogenated uracil isomers
Cp,solid	86.43	J/mol×K	161.47	Calorimetric studies on two halogenated uracil isomers
Cp,solid	90.19	J/mol×K	171.56	Calorimetric studies on two halogenated uracil isomers
Cp,solid	94.08	J/mol×K	181.61	Calorimetric studies on two halogenated uracil isomers
Cp,solid	97.83	J/mol×K	191.69	Calorimetric studies on two halogenated uracil isomers
Cp,solid	101.23	J/mol×K	201.81	Calorimetric studies on two halogenated uracil isomers
Cp,solid	105.16	J/mol×K	211.89	Calorimetric studies on two halogenated uracil isomers
Cp,solid	108.99	J/mol×K	222.00	Calorimetric studies on two halogenated uracil isomers
Cp,solid	112.88	J/mol×K	232.08	Calorimetric studies on two halogenated uracil isomers
Cp,solid	116.48	J/mol×K	242.10	Calorimetric studies on two halogenated uracil isomers
Cp,solid	120.07	J/mol×K	252.19	Calorimetric studies on two halogenated uracil isomers
Cp,solid	123.73	J/mol×K	262.33	Calorimetric studies on two halogenated uracil isomers
Cp,solid	127.71	J/mol×K	272.41	Calorimetric studies on two halogenated uracil isomers
Cp,solid	131.41	J/mol×K	282.41	Calorimetric studies on two halogenated uracil isomers
Cp,solid	134.98	J/mol×K	292.56	Calorimetric studies on two halogenated uracil isomers
Cp,solid	139.40	J/mol×K	298.15	Heat Capacities of Uracil, Thymine, and Its Alkylated, Cyclooligomethylenated, and Halogenated Derivatives by Differential Calorimetry
Cp,solid	138.30	J/mol×K	302.57	Calorimetric studies on two halogenated uracil isomers
Cp,solid	141.00	J/mol×K	303.15	Heat Capacities of Uracil, Thymine, and Its Alkylated, Cyclooligomethylenated, and Halogenated Derivatives by Differential Calorimetry
Cp,solid	141.20	J/mol×K	308.15	Heat Capacities of Uracil, Thymine, and Its Alkylated, Cyclooligomethylenated, and Halogenated Derivatives by Differential Calorimetry
Cp,solid	140.80	J/mol×K	313.15	Heat Capacities of Uracil, Thymine, and Its Alkylated, Cyclooligomethylenated, and Halogenated Derivatives by Differential Calorimetry
Cp,solid	141.30	J/mol×K	318.15	Heat Capacities of Uracil, Thymine, and Its Alkylated, Cyclooligomethylenated, and Halogenated Derivatives by Differential Calorimetry
Cp,solid	144.70	J/mol×K	323.15	Heat Capacities of Uracil, Thymine, and Its Alkylated, Cyclooligomethylenated, and Halogenated Derivatives by Differential Calorimetry
Cp,solid	144.90	J/mol×K	328.15	Heat Capacities of Uracil, Thymine, and Its Alkylated, Cyclooligomethylenated, and Halogenated Derivatives by Differential Calorimetry
Cp,solid	145.10	J/mol×K	333.15	Heat Capacities of Uracil, Thymine, and Its Alkylated, Cyclooligomethylenated, and Halogenated Derivatives by Differential Calorimetry
Cp,solid	146.00	J/mol×K	338.15	Heat Capacities of Uracil, Thymine, and Its Alkylated, Cyclooligomethylenated, and Halogenated Derivatives by Differential Calorimetry
Cp,solid	147.90	J/mol×K	343.15	Heat Capacities of Uracil, Thymine, and Its Alkylated, Cyclooligomethylenated, and Halogenated Derivatives by Differential Calorimetry
ΔsubH	134.30	kJ/mol	386.50	NIST

Similar Compounds

Find more compounds similar to 6-Chlorouracil.

Mixtures

• Methyl Alcohol + 6-Chlorouracil
• Water + 6-Chlorouracil

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 thermochemical study of fluoro-, chloro- and bromo- derivatives of uracil
• Calorimetric studies on two halogenated uracil isomers
• Thermodynamic Investigation of Uracil and Its Halo Derivatives. Enthalpies of Solution and Solvation in Methanol
• Heat Capacities of Uracil, Thymine, and Its Alkylated, Cyclooligomethylenated, and Halogenated Derivatives by Differential Calorimetry
• Solubilities in Water of Uracil and Its Halogenated Derivatives
• McGowan Method
• NIST Webbook

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