Chemical Properties of Pyrazole, 3,4,4,5-tetramethyl- (CAS 19078-32-1)

InChI

InChI=1S/C7H12N2/c1-5-7(3,4)6(2)9-8-5/h1-4H3

InChI Key

AIHABYFCZQBWLH-UHFFFAOYSA-N

Formula

C7H12N2

SMILES

CC1=NN=C(C)C1(C)C

Molecular Weight¹

124.18

CAS

19078-32-1

Other Names

• 4H-Pyrazole,3,4,4,5-tetramethyl-

• 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

Property	Value	Unit	Source
ΔfG°	313.34	kJ/mol	Joback Calculated Property
ΔfH°gas	122.47	kJ/mol	Joback Calculated Property
ΔfusH°	13.46	kJ/mol	Joback Calculated Property
ΔvapH°	44.61	kJ/mol	Joback Calculated Property
IE	[9.57; 10.12]	eV
IE	9.57	eV	NIST
IE	10.12	eV	NIST
log10WS	-1.72		Crippen Calculated Property
logPoct/wat	1.863		Crippen Calculated Property
McVol	109.990	ml/mol	McGowan Calculated Property
Pc	3805.69	kPa	Joback Calculated Property
Tboil	490.76	K	Joback Calculated Property
Tc	726.83	K	Joback Calculated Property
Tfus	373.09	K	Joback Calculated Property
Vc	0.436	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[258.51; 339.91]	J/mol×K	[490.76; 726.83]
Cp,gas	258.51	J/mol×K	490.76	Joback Calculated Property
Cp,gas	274.22	J/mol×K	530.11	Joback Calculated Property
Cp,gas	288.95	J/mol×K	569.45	Joback Calculated Property
Cp,gas	302.80	J/mol×K	608.80	Joback Calculated Property
Cp,gas	315.84	J/mol×K	648.14	Joback Calculated Property
Cp,gas	328.18	J/mol×K	687.49	Joback Calculated Property
Cp,gas	339.91	J/mol×K	726.83	Joback Calculated Property

Similar Compounds

Find more compounds similar to Pyrazole, 3,4,4,5-tetramethyl-.

Sources

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

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