Chemical Properties of Pyrimidine, 2-methyl- (CAS 5053-43-0)

InChI

InChI=1S/C5H6N2/c1-5-6-3-2-4-7-5/h2-4H,1H3

InChI Key

LNJMHEJAYSYZKK-UHFFFAOYSA-N

Formula

C5H6N2

SMILES

Cc1ncccn1

Molecular Weight¹

94.11

CAS

5053-43-0

Other Names

• 2-Methyl-1,3-diazine
• 2-Methylpyrimidine

• 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_p : 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	0.2915		Relay (1.0) Calculated Property
ΔfG°	214.98	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	127.46	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	42.38	kJ/mol	Relay (1.0) Calculated Property
IE	9.56	eV	Relay (1.0) Calculated Property
log10WS	0.85		Relay (1.0) Calculated Property
logPoct/wat	0.785		Crippen Calculated Property
McVol	77.510	ml/mol	McGowan Calculated Property
Pc	5402.93	kPa	Relay (1.0-beta) Calculated Property
Ip	[1301.00; 1301.00]
Ip	1301.00		NIST
Ip	1301.00		NIST
Tboil	421.90	K	Relay (1.0) Calculated Property
Tc	635.97	K	Relay (1.0) Calculated Property
Tfus	269.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Vc	0.274	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Pyrimidine, 2-methyl-.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• 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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