Chemical Properties of 2-Pyrazoline, 5-ethyl-1,4-dimethyl- (CAS 14339-23-2)

InChI

InChI=1S/C7H14N2/c1-4-7-6(2)5-8-9(7)3/h5-7H,4H2,1-3H3

InChI Key

LSAFIEKJCBNDJB-UHFFFAOYSA-N

Formula

C7H14N2

SMILES

CCC1C(C)C=NN1C

Molecular Weight¹

126.20

CAS

14339-23-2

Other Names

• 1,4-Dimethyl-5-ethyl-«DELTA»[2]-pyrazoline
• 2-Pyrazoline, 1,4-dimethyl-5-ethyl

• 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	0.3537		Relay (... Calculated Property
ΔfG°	232.35	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	101.22	kJ/mol	Relay (... Calculated Property
ΔvapH°	47.93	kJ/mol	Relay (... Calculated Property
IE	7.62	eV	Relay (... Calculated Property
log10WS	-0.67		Relay (... Calculated Property
logPoct/wat	1.332		Crippen Calculated Property
McVol	114.290	ml/mol	McGowan Calculated Property
Pc	3407.58	kPa	Relay (... Calculated Property ⚠️
Inp	[874.00; 874.00]
Inp	874.00		NIST
Inp	874.00		NIST
Tboil	427.77	K	Relay (... Calculated Property
Tc	641.56	K	Relay (... Calculated Property
Tfus	233.00	K	Relay (... Calculated Property
Vc	0.407	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to 2-Pyrazoline, 5-ethyl-1,4-dimethyl-.

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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