Chemical Properties of Pyridine, 2-chloro-6-methoxy- (CAS 17228-64-7)

InChI

InChI=1S/C6H6ClNO/c1-9-6-4-2-3-5(7)8-6/h2-4H,1H3

InChI Key

VAVGOGHLNAJECD-UHFFFAOYSA-N

Formula

C6H6ClNO

SMILES

COc1cccc(Cl)n1

Molecular Weight¹

143.57

CAS

17228-64-7

Other Names

• 2-Chloro-6-methoxypyridine
• 2-Methoxy-6-chloropyridine
• 6-Chloro-2-methoxypyridine

• ω : Acentric Factor.
• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• 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	0.3731		Relay (1.0) Calculated Property
PAff	909.90	kJ/mol	NIST
BasG	878.00	kJ/mol	NIST
ΔfG°	62.37	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-112.58	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	51.31	kJ/mol	Relay (1.0) Calculated Property
IE	8.94	eV	Relay (1.0) Calculated Property
log10WS	-1.79		Relay (1.0) Calculated Property
logPoct/wat	1.744		Crippen Calculated Property
McVol	99.730	ml/mol	McGowan Calculated Property
Pc	4354.91	kPa	Relay (1.0-beta) Calculated Property
Inp	[1025.20; 1025.20]
Inp	1025.20		NIST
Inp	1025.20		NIST
Tboil	458.70	K	NIST
Tc	685.15	K	Relay (1.0) Calculated Property
Tfus	310.38	K	Relay (1.0) Calculated Property
Vc	0.363	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Pyridine, 2-chloro-6-methoxy-.

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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