Chemical Properties of Pyrimidine, 2,4-dihydroxy-6-oxo-5,5-diethyl, TMS

InChI

InChI=1S/C14H28N2O3Si2/c1-9-14(10-2)11(17)15-13(19-21(6,7)8)16-12(14)18-20(3,4)5/h9-10H2,1-8H3

InChI Key

AKTGSILXSAZINL-UHFFFAOYSA-N

Formula

C14H28N2O3Si2

SMILES

CCC1(CC)C(=O)N=C(O[Si](C)(C)C)N=C1O[Si](C)(C)C

Molecular Weight¹

328.55

• 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	0.6105		Relay (... Calculated Property
ΔfG°	-127.20	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-824.97	kJ/mol	Relay (... Calculated Property
ΔvapH°	74.56	kJ/mol	Relay (... Calculated Property
IE	9.76	eV	Relay (... Calculated Property
log10WS	-2.96		Relay (... Calculated Property
logPoct/wat	3.791		Crippen Calculated Property
Pc	1101.96	kPa	Relay (... Calculated Property ⚠️
Inp	[1608.00; 1608.00]
Inp	1608.00		NIST
Inp	1608.00		NIST
Tboil	530.41	K	Relay (... Calculated Property
Tc	769.57	K	Relay (... Calculated Property
Tfus	342.13	K	Relay (... Calculated Property
Vc	1.022	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to Pyrimidine, 2,4-dihydroxy-6-oxo-5,5-diethyl, 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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