Chemical Properties of 1H-Pyrazole, 4,5-dihydro-3,5,5-trimethyl- (CAS 3975-85-7)

InChI

InChI=1S/C6H12N2/c1-5-4-6(2,3)8-7-5/h8H,4H2,1-3H3

InChI Key

MEVTUZFUVAZEPY-UHFFFAOYSA-N

Formula

C6H12N2

SMILES

CC1=NNC(C)(C)C1

Molecular Weight¹

112.17

CAS

3975-85-7

Other Names

• 2-Pyrazoline, 3,5,5-trimethyl-
• 3,5,5-Trimethyl-2-pyrazoline
• 3,5,5-Trimethylpyrazoline
• 3,5,5-Trimethyl-«DELTA»[2]-pyrazoline

• 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°	255.52	kJ/mol	Joback Calculated Property
ΔfH°gas	63.64	kJ/mol	Joback Calculated Property
ΔfusH°	14.49	kJ/mol	Joback Calculated Property
ΔvapH°	41.98	kJ/mol	Joback Calculated Property
log10WS	-1.68		Crippen Calculated Property
logPoct/wat	1.134		Crippen Calculated Property
McVol	100.200	ml/mol	McGowan Calculated Property
Pc	4316.89	kPa	Joback Calculated Property
Inp	[910.00; 910.00]
Inp	910.00		NIST
Inp	910.00		NIST
Tboil	458.59	K	Joback Calculated Property
Tc	690.08	K	Joback Calculated Property
Tfus	382.03	K	Joback Calculated Property
Vc	0.383	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[216.75; 292.66]	J/mol×K	[458.59; 690.08]
Cp,gas	216.75	J/mol×K	458.59	Joback Calculated Property
Cp,gas	231.50	J/mol×K	497.17	Joback Calculated Property
Cp,gas	245.27	J/mol×K	535.75	Joback Calculated Property
Cp,gas	258.18	J/mol×K	574.33	Joback Calculated Property
Cp,gas	270.32	J/mol×K	612.91	Joback Calculated Property
Cp,gas	281.78	J/mol×K	651.49	Joback Calculated Property
Cp,gas	292.66	J/mol×K	690.08	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1H-Pyrazole, 4,5-dihydro-3,5,5-trimethyl-.

Sources

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

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