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

InChI

InChI=1S/C10H16N4O/c1-8-7-9(12-11-8)10(15)13(2)14-5-3-4-6-14/h7H,3-6H2,1-2H3,(H,11,12)

InChI Key

CSFLSTZGFBVTSR-UHFFFAOYSA-N

Formula

C10H16N4O

SMILES

Cc1cc(C(=O)N(C)N2CCCC2)n[nH]1

Molecular Weight¹

208.26

• 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	0.6009		Relay (1.0) Calculated Property
ΔfG°	255.48	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-7.23	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	86.58	kJ/mol	Relay (1.0) Calculated Property
IE	7.72	eV	Relay (1.0) Calculated Property
log10WS	-0.74		Relay (1.0) Calculated Property
logPoct/wat	0.319		Crippen Calculated Property
McVol	162.930	ml/mol	McGowan Calculated Property
Pc	2749.50	kPa	Relay (1.0-beta) Calculated Property
Inp	[1842.00; 1842.00]
Inp	1842.00		NIST
Inp	1842.00		NIST
Tboil	606.71	K	Relay (1.0) Calculated Property
Tc	858.35	K	Relay (1.0) Calculated Property
Tfus	421.87	K	Relay (1.0) Calculated Property
Vc	0.618	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

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