Chemical Properties of 4-Pyridinecarboxylic acid, methyl ester (CAS 2459-09-8)

InChI

InChI=1S/C7H7NO2/c1-10-7(9)6-2-4-8-5-3-6/h2-5H,1H3

InChI Key

OLXYLDUSSBULGU-UHFFFAOYSA-N

Formula

C7H7NO2

SMILES

COC(=O)c1ccncc1

Molecular Weight¹

137.14

CAS

2459-09-8

Other Names

• Isonicotinic acid, methyl ester
• Methyl isonicotinate
• Methyl 4-pyridinecarboxylate
• 4-Methoxycarbonylpyridine
• 4-Carbomethoxypyridine
• Pyridine-4-carboxylic acid, methyl ester

• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
PAff	926.60	kJ/mol	NIST
BasG	894.70	kJ/mol	NIST
ΔvapH°	[59.40; 65.40]	kJ/mol
ΔvapH°	65.40 ± 1.40	kJ/mol	NIST
ΔvapH°	59.40 ± 0.10	kJ/mol	NIST
log10WS	-1.48		Crippen Calculated Property
logPoct/wat	0.868		Crippen Calculated Property
McVol	103.150	ml/mol	McGowan Calculated Property
Inp	1125.00		NIST
I	[1763.00; 1804.00]
I	1782.00		NIST
I	1782.00		NIST
I	1763.00		NIST
I	1804.00		NIST
Tboil	481.20	K	NIST

Similar Compounds

Find more compounds similar to 4-Pyridinecarboxylic acid, methyl ester.

Sources

• Crippen Method
• Crippen Method
• McGowan Method
• NIST Webbook

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