Chemical Properties of 2-Pyrazoline, 1-isobutyl-3-methyl- (CAS 26964-53-4)

InChI

InChI=1S/C8H16N2/c1-7(2)6-10-5-4-8(3)9-10/h7H,4-6H2,1-3H3

InChI Key

ZEWMFEJLDHQAFQ-UHFFFAOYSA-N

Formula

C8H16N2

SMILES

CC1=NN(CC(C)C)CC1

Molecular Weight¹

140.23

CAS

26964-53-4

Other Names

• 3-Methyl-1-isobutyl-«DELTA»[2]-pyrazoline
• 1-Isobutyl-3-methyl-4,5-dihydro-1H-pyrazole
• 2-Pyrazoline, 3-methyl-1-(2-methylpropyl)

• 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	0.4411		Relay (... Calculated Property
ΔfG°	192.26	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	64.68	kJ/mol	Relay (... Calculated Property
ΔvapH°	48.70	kJ/mol	Relay (... Calculated Property
IE	7.76	eV	Relay (... Calculated Property
log10WS	-0.46		Relay (... Calculated Property
logPoct/wat	1.724		Crippen Calculated Property
McVol	128.380	ml/mol	McGowan Calculated Property
Pc	2933.35	kPa	Relay (... Calculated Property ⚠️
Inp	[1087.00; 1087.00]
Inp	1087.00		NIST
Inp	1087.00		NIST
Tboil	443.73	K	Relay (... Calculated Property
Tc	660.30	K	Relay (... Calculated Property
Tfus	214.99	K	Relay (... Calculated Property
Vc	0.476	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to 2-Pyrazoline, 1-isobutyl-3-methyl-.

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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