Chemical Properties of Pyrazolo[1,5-d][1,2,4]triazin-3-one, 2,6,7,7-tetramethyl

InChI

InChI=1S/C9H14N4O/c1-6-5-7-8(14)11-12(4)9(2,3)13(7)10-6/h5H,1-4H3,(H,11,14)

InChI Key

BEVVZHLXOHZILQ-UHFFFAOYSA-N

Formula

C9H14N4O

SMILES

Cc1cc2n(n1)C(C)(C)N(C)NC2=O

Molecular Weight¹

194.23

• 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	0.5669		Relay (... Calculated Property
ΔfG°	198.50	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	17.57	kJ/mol	Relay (... Calculated Property
ΔvapH°	81.06	kJ/mol	Relay (... Calculated Property
IE	8.16	eV	Relay (... Calculated Property
log10WS	-1.01		Relay (... Calculated Property
logPoct/wat	0.474		Crippen Calculated Property
McVol	148.840	ml/mol	McGowan Calculated Property
Pc	3296.33	kPa	Relay (... Calculated Property ⚠️
Inp	[1600.00; 1600.00]
Inp	1600.00		NIST
Inp	1600.00		NIST
Tboil	571.28	K	Relay (... Calculated Property
Tc	831.34	K	Relay (... Calculated Property
Tfus	500.55	K	Relay (... Calculated Property
Vc	0.569	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to Pyrazolo[1,5-d][1,2,4]triazin-3-one, 2,6,7,7-tetramethyl.

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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