Chemical Properties of 3-tert-Butyl-2-pyrazolin-5-one (CAS 29211-68-5)

InChI

InChI=1S/C7H12N2O/c1-7(2,3)5-4-6(10)9-8-5/h4H2,1-3H3,(H,9,10)

InChI Key

VDNOHRWEOSDGQX-UHFFFAOYSA-N

Formula

C7H12N2O

SMILES

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

Molecular Weight¹

140.18

CAS

29211-68-5

• 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	[288.33; 369.99]	J/mol×K	[550.49; 800.47]
Cp,gas	288.33	J/mol×K	550.49	Joback Calculated Property
Cp,gas	304.39	J/mol×K	592.15	Joback Calculated Property
Cp,gas	319.49	J/mol×K	633.82	Joback Calculated Property
Cp,gas	333.60	J/mol×K	675.48	Joback Calculated Property
Cp,gas	346.73	J/mol×K	717.14	Joback Calculated Property
Cp,gas	358.86	J/mol×K	758.81	Joback Calculated Property
Cp,gas	369.99	J/mol×K	800.47	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-tert-Butyl-2-pyrazolin-5-one.

Sources

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

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