Chemical Properties of 2-Pyrazoline, 1,3,5-trimethyl

InChI

InChI=1S/C6H12N2/c1-5-4-6(2)8(3)7-5/h6H,4H2,1-3H3

InChI Key

RLPGNQZLVNPBIQ-UHFFFAOYSA-N

Formula

C6H12N2

SMILES

CC1=NN(C)C(C)C1

Molecular Weight¹

112.17

• 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	0.3591		Relay (... Calculated Property
ΔfG°	196.27	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	104.69	kJ/mol	Relay (... Calculated Property
ΔvapH°	45.18	kJ/mol	Relay (... Calculated Property
IE	7.58	eV	Relay (... Calculated Property
log10WS	0.50		Relay (... Calculated Property
logPoct/wat	1.086		Crippen Calculated Property
McVol	100.200	ml/mol	McGowan Calculated Property
Pc	3929.89	kPa	Relay (... Calculated Property ⚠️
Inp	[832.00; 832.00]
Inp	832.00		NIST
Inp	832.00		NIST
Tboil	409.68	K	Relay (... Calculated Property
Tc	631.13	K	Relay (... Calculated Property
Tfus	243.93	K	Relay (... Calculated Property
Vc	0.366	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to 2-Pyrazoline, 1,3,5-trimethyl.

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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