Chemical Properties of 2-Pyrazolin-5-one, 3-isobutyl- (CAS 35087-29-7)

InChI

InChI=1S/C7H12N2O/c1-5(2)3-6-4-7(10)9-8-6/h5H,3-4H2,1-2H3,(H,9,10)

InChI Key

PWHAMHNZTMGTKF-UHFFFAOYSA-N

Formula

C7H12N2O

SMILES

CC(C)CC1=NNC(=O)C1

Molecular Weight¹

140.18

CAS

35087-29-7

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion 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).
• 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

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[285.22; 365.62]	J/mol×K	[553.28; 792.76]
Cp,gas	285.22	J/mol×K	553.28	Joback Calculated Property
Cp,gas	300.65	J/mol×K	593.19	Joback Calculated Property
Cp,gas	315.31	J/mol×K	633.11	Joback Calculated Property
Cp,gas	329.17	J/mol×K	673.02	Joback Calculated Property
Cp,gas	342.20	J/mol×K	712.93	Joback Calculated Property
Cp,gas	354.36	J/mol×K	752.84	Joback Calculated Property
Cp,gas	365.62	J/mol×K	792.76	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Pyrazolin-5-one, 3-isobutyl-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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