Chemical Properties of 5-Nitrouracil, TMS

InChI

InChI=1S/C10H19N3O4Si2/c1-18(2,3)16-9-8(13(14)15)7-11-10(12-9)17-19(4,5)6/h7H,1-6H3

InChI Key

ZVMKAZLYKSXZDY-UHFFFAOYSA-N

Formula

C10H19N3O4Si2

SMILES

C[Si](C)(C)Oc1ncc([N+](=O)[O-])c(O[Si](C)(C)C)n1

Molecular Weight¹

301.45

• ω : Acentric Factor.
• 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.
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• 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	0.6911		Relay (1.0) Calculated Property
ΔfG°	115.36	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-515.90	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	67.26	kJ/mol	Relay (1.0) Calculated Property
IE	10.27	eV	Relay (1.0) Calculated Property
log10WS	-3.26		Relay (1.0) Calculated Property
logPoct/wat	2.812		Crippen Calculated Property
Pc	1376.12	kPa	Relay (1.0-beta) Calculated Property
Inp	[1649.80; 1649.80]
Inp	1649.80		NIST
Inp	1649.80		NIST
Tboil	541.23	K	Relay (1.0) Calculated Property
Tc	810.93	K	Relay (1.0) Calculated Property
Tfus	351.23	K	Relay (1.0) Calculated Property
Vc	0.880	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 5-Nitrouracil, TMS.

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
• NIST Webbook

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