Chemical Properties of 4-Methylpyrrolo[1,2-a]pyrazine (CAS 64608-60-2)

InChI

InChI=1S/C8H8N2/c1-7-5-9-6-8-3-2-4-10(7)8/h2-6H,1H3

InChI Key

GCXGRZISVBCADH-UHFFFAOYSA-N

Formula

C8H8N2

SMILES

Cc1cncc2cccn12

Molecular Weight¹

132.16

CAS

64608-60-2

Other Names

• 4-Methylpyrrol-1,2-A-pyrazine

• 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.
• I : 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	0.4055		Relay (... Calculated Property
ΔfG°	272.65	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	207.92	kJ/mol	Relay (... Calculated Property
ΔvapH°	64.59	kJ/mol	Relay (... Calculated Property
IE	8.17	eV	Relay (... Calculated Property
log10WS	-0.96		Relay (... Calculated Property
logPoct/wat	1.643		Crippen Calculated Property
McVol	104.620	ml/mol	McGowan Calculated Property
Pc	5088.54	kPa	Relay (... Calculated Property ⚠️
Inp	[1340.00; 1340.00]
Inp	1340.00		NIST
Inp	1340.00		NIST
I	[2093.00; 2167.00]
I	2093.00		NIST
I	2167.00		NIST
Tboil	543.85	K	Relay (... Calculated Property
Tc	802.26	K	Relay (... Calculated Property
Tfus	338.01	K	Relay (... Calculated Property
Vc	0.399	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to 4-Methylpyrrolo[1,2-a]pyrazine.

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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