Chemical Properties of 5-methyl-5(H)-cyclopentapyrazine (CAS 65128-99-6)

InChI

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

InChI Key

WWUFRIQCZCLXPV-UHFFFAOYSA-N

Formula

C8H8N2

SMILES

CC1C=Cc2nccnc21

Molecular Weight¹

132.16

CAS

65128-99-6

• 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	0.3439		Relay (... Calculated Property
ΔfG°	260.12	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	247.10	kJ/mol	Relay (... Calculated Property
ΔvapH°	60.47	kJ/mol	Relay (... Calculated Property
IE	8.69	eV	Relay (... Calculated Property
log10WS	-1.28		Relay (... Calculated Property
logPoct/wat	1.607		Crippen Calculated Property
McVol	104.620	ml/mol	McGowan Calculated Property
Pc	4609.49	kPa	Relay (... Calculated Property ⚠️
Inp	[1145.00; 1145.00]
Inp	1145.00		NIST
Inp	1145.00		NIST
Tboil	477.17	K	Relay (... Calculated Property
Tc	736.68	K	Relay (... Calculated Property
Tfus	284.32	K	Relay (... Calculated Property
Vc	0.392	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to 5-methyl-5(H)-cyclopentapyrazine.

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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