Chemical Properties of Pyrimidine, 2-hydroxy, TMS

InChI

InChI=1S/C7H12N2OSi/c1-11(2,3)10-7-8-5-4-6-9-7/h4-6H,1-3H3

InChI Key

IBCXGJWGOAAAHT-UHFFFAOYSA-N

Formula

C7H12N2OSi

SMILES

C[Si](C)(C)Oc1ncccn1

Molecular Weight¹

168.27

• 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	0.3961		Relay (1.0) Calculated Property
ΔfG°	145.84	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-193.74	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	52.91	kJ/mol	Relay (1.0) Calculated Property
IE	9.78	eV	Relay (1.0) Calculated Property
log10WS	-0.37		Relay (1.0) Calculated Property
logPoct/wat	1.690		Crippen Calculated Property
Pc	2705.91	kPa	Relay (1.0-beta) Calculated Property
Inp	[1113.00; 1113.00]
Inp	1113.00		NIST
Inp	1113.00		NIST
Tboil	454.74	K	Relay (1.0) Calculated Property
Tc	662.32	K	Relay (1.0) Calculated Property
Tfus	256.59	K	Relay (1.0) Calculated Property
Vc	0.520	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Pyrimidine, 2-hydroxy, 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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