Chemical Properties of Purine, 2,6,8-trimethyl

InChI

InChI=1S/C8H10N4/c1-4-7-8(11-5(2)9-4)12-6(3)10-7/h1-3H3,(H,9,10,11,12)

InChI Key

OGEVAXQAJYSFHO-UHFFFAOYSA-N

Formula

C8H10N4

SMILES

Cc1nc(C)c2[nH]c(C)nc2n1

Molecular Weight¹

162.19

• 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.
• McVol : McGowan's characteristic volume (ml/mol).
• 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	0.5025		Relay (1.0) Calculated Property
ΔfG°	292.09	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	131.45	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	84.21	kJ/mol	Relay (1.0) Calculated Property
IE	8.42	eV	Relay (1.0) Calculated Property
log10WS	-1.98		Relay (1.0) Calculated Property
logPoct/wat	0.796		Crippen Calculated Property
McVol	124.580	ml/mol	McGowan Calculated Property
Pc	4807.91	kPa	Relay (1.0-beta) Calculated Property
Inp	[1808.00; 1808.00]
Inp	1808.00		NIST
Inp	1808.00		NIST
Tboil	569.23	K	Relay (1.0) Calculated Property
Tc	840.27	K	Relay (1.0) Calculated Property
Tfus	542.19	K	Relay (1.0) Calculated Property
Vc	0.492	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Purine, 2,6,8-trimethyl.

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
• McGowan Method
• NIST Webbook

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