Chemical Properties of 1H-Pyrazole, 1-ethyl- (CAS 2817-71-2)

InChI

InChI=1S/C5H8N2/c1-2-7-5-3-4-6-7/h3-5H,2H2,1H3

InChI Key

FLNMQGISZVYIIK-UHFFFAOYSA-N

Formula

C5H8N2

SMILES

CCn1cccn1

Molecular Weight¹

96.13

CAS

2817-71-2

Other Names

• 1-Ethylpyrazole

• 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	0.3445		Relay (... Calculated Property
ΔfG°	220.76	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	123.56	kJ/mol	Relay (... Calculated Property
ΔvapH°	53.30 ± 2.40	kJ/mol	NIST
IE	8.86	eV	Relay (... Calculated Property
log10WS	1.15		Relay (... Calculated Property
logPoct/wat	0.903		Crippen Calculated Property
McVol	81.810	ml/mol	McGowan Calculated Property
Pc	4648.44	kPa	Relay (... Calculated Property ⚠️
Inp	[809.00; 809.00]
Inp	809.00		NIST
Inp	809.00		NIST
Tboil	433.73	K	Relay (... Calculated Property
Tc	624.93	K	Relay (... Calculated Property
Tfus	223.79	K	Relay (... Calculated Property
Vc	0.318	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to 1H-Pyrazole, 1-ethyl-.

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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