Chemical Properties of Picolinamide (CAS 1452-77-3)

InChI

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

InChI Key

IBBMAWULFFBRKK-UHFFFAOYSA-N

Formula

C6H6N2O

SMILES

NC(=O)c1ccccn1

Molecular Weight¹

122.12

CAS

1452-77-3

Other Names

• 2-Carbamoylpyridine
• 2-pyridinecarboxamide
• Picolinic acid amide
• Picolinoylamide
• Pyridine-2-carboxamide
• Pyridine-2-carboxylicamide
• «alpha»-Picolinamide
• «alpha»-Picolinic acid amide

• 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_p : 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	-72.28	kJ/mol	Relay (1.0) Calculated Property
ΔsubH°	93.10 ± 3.30	kJ/mol	NIST
ΔvapH°	62.10	kJ/mol	Relay (1.0) Calculated Property
IE	9.43	eV	Relay (1.0) Calculated Property
log10WS	-0.70		Relay (1.0) Calculated Property
logPoct/wat	0.181		Crippen Calculated Property
McVol	93.170	ml/mol	McGowan Calculated Property
Inp	[1268.00; 1268.00]
Inp	1268.00		NIST
Inp	1268.00		NIST
Ip	[2358.00; 2358.00]
Ip	2358.00		NIST
Ip	2358.00		NIST
Tboil	530.69	K	Relay (1.0) Calculated Property
Tfus	[379.15; 379.50]	K
Tfus	379.50	K	Nicotinamides: Evaluation of thermochemical experimental properties
Tfus	379.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value

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 Picolinamide.

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
• Nicotinamides: Evaluation of thermochemical experimental properties
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
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