Chemical Properties of 2-Pyrazoline, 3-ethyl-4-methyl

InChI

InChI=1S/C6H12N2/c1-3-6-5(2)4-7-8-6/h5,7H,3-4H2,1-2H3

InChI Key

BFPRKAOSDILNNU-UHFFFAOYSA-N

Formula

C6H12N2

SMILES

CCC1=NNCC1C

Molecular Weight¹

112.17

• 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).
• 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
ΔfG°	261.01	kJ/mol	Joback Calculated Property
ΔfH°gas	48.40	kJ/mol	Joback Calculated Property
ΔfusH°	20.79	kJ/mol	Joback Calculated Property
ΔvapH°	43.13	kJ/mol	Joback Calculated Property
log10WS	-1.33		Crippen Calculated Property
logPoct/wat	0.992		Crippen Calculated Property
McVol	100.200	ml/mol	McGowan Calculated Property
Pc	4072.51	kPa	Joback Calculated Property
Inp	[1000.00; 1000.00]
Inp	1000.00		NIST
Inp	1000.00		NIST
Tboil	458.35	K	Joback Calculated Property
Tc	679.67	K	Joback Calculated Property
Tfus	358.13	K	Joback Calculated Property
Vc	0.385	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[216.04; 293.83]	J/mol×K	[458.35; 679.67]
Cp,gas	216.04	J/mol×K	458.35	Joback Calculated Property
Cp,gas	230.63	J/mol×K	495.24	Joback Calculated Property
Cp,gas	244.58	J/mol×K	532.12	Joback Calculated Property
Cp,gas	257.87	J/mol×K	569.01	Joback Calculated Property
Cp,gas	270.52	J/mol×K	605.89	Joback Calculated Property
Cp,gas	282.50	J/mol×K	642.78	Joback Calculated Property
Cp,gas	293.83	J/mol×K	679.67	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Pyrazoline, 3-ethyl-4-methyl.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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