Chemical Properties of 5-Methyl-2H-pyrazole-3-carboxylic acid, 1-methyl-2-isopropenyl hydrazide

InChI

InChI=1S/C9H14N4O/c1-6(2)12-13(4)9(14)8-5-7(3)10-11-8/h5,12H,1H2,2-4H3,(H,10,11)

InChI Key

HHAVUBWVYFUGGD-UHFFFAOYSA-N

Formula

C9H14N4O

SMILES

C=C(C)NN(C)C(=O)c1cc(C)n[nH]1

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	0.6326		Relay (... Calculated Property
ΔfG°	261.41	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	50.34	kJ/mol	Relay (... Calculated Property
ΔvapH°	88.11	kJ/mol	Relay (... Calculated Property
IE	8.20	eV	Relay (... Calculated Property
log10WS	-1.16		Relay (... Calculated Property
logPoct/wat	0.346		Crippen Calculated Property
McVol	155.400	ml/mol	McGowan Calculated Property
Pc	3453.38	kPa	Relay (... Calculated Property ⚠️
Inp	[1554.00; 1554.00]
Inp	1554.00		NIST
Inp	1554.00		NIST
Tboil	580.53	K	Relay (... Calculated Property
Tc	834.36	K	Relay (... Calculated Property
Tfus	413.86	K	Relay (... Calculated Property
Vc	0.573	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to 5-Methyl-2H-pyrazole-3-carboxylic acid, 1-methyl-2-isopropenyl hydrazide.

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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