Chemical Properties of 4-Pyridinecarboxamide (CAS 1453-82-3)

InChI

InChI=1S/C6H6N2O/c7-6(9)5-1-3-8-4-2-5/h1-4H,(H2,7,9)

InChI Key

VFQXVTODMYMSMJ-UHFFFAOYSA-N

Formula

C6H6N2O

SMILES

NC(=O)c1ccncc1

Molecular Weight¹

122.12

CAS

1453-82-3

Other Names

• .gamma.-pyridinecarboxamide
• 4-carbamoylpyridine
• Pyridine-4-carboxylic acid amide
• isonicotinamide
• isonicotinic acid amide
• «gamma»-Pyridinecarboxamide

• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_subH° : Enthalpy of sublimation at standard conditions (kJ/mol).
• Δ_subH : Enthalpy of sublimation at a given temperature (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).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-81.65	kJ/mol	Relay (1.0) Calculated Property
ΔsubH°	116.10 ± 1.50	kJ/mol	NIST
ΔvapH°	68.82	kJ/mol	Relay (1.0) Calculated Property
IE	9.90	eV	Relay (1.0) Calculated Property
log10WS	-0.42		Relay (1.0) Calculated Property
logPoct/wat	0.181		Crippen Calculated Property
McVol	93.170	ml/mol	McGowan Calculated Property
Inp	[1408.00; 1408.00]
Inp	1408.00		NIST
Inp	1408.00		NIST
I	[2894.00; 2894.00]
I	2894.00		NIST
I	2894.00		NIST
Tboil	528.82	K	Relay (1.0) Calculated Property
Tfus	[428.40; 429.15]	K
Tfus	428.40	K	Nicotinamides: Evaluation of thermochemical experimental properties
Tfus	428.50	K	Determination and correlation of solubility and mixing properties of isonicotinamide (form II) in some pure solvents
Tfus	429.15 ± 0.50	K	NIST

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Similar Compounds

Find more compounds similar to 4-Pyridinecarboxamide.

Mixtures

• Water + 4-Pyridinecarboxamide
• Ethanol + 4-Pyridinecarboxamide
• 2-Propanol + 4-Pyridinecarboxamide
• 1-Butanol + 4-Pyridinecarboxamide
• Ethyl Acetate + 4-Pyridinecarboxamide
• Acetic acid, butyl ester + 4-Pyridinecarboxamide
• Dimethyl Sulfoxide + Water + 4-Pyridinecarboxamide
• Formamide, N,N-dimethyl- + Water + 4-Pyridinecarboxamide

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
• Nicotinamides: Evaluation of thermochemical experimental properties
• Determination and correlation of solubility and mixing properties of isonicotinamide (form II) in some pure solvents
• Dilution Enthalpies and Enthalpic Pairwise Self-Interactions of Nicotinamide and Isonicotinamide in (Dimethylformamide + Water) and (Dimethylsulfoxide + Water) Mixed Solvents at 298.15 K
• McGowan Method
• NIST Webbook

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