Chemical Properties of Nicotinic acid, 1,2-dihydro-4,6-dimethyl-2-oxo-,ethyl ester (CAS 16108-48-8)

InChI

InChI=1S/C10H13NO3/c1-4-14-10(13)8-6(2)5-7(3)11-9(8)12/h5H,4H2,1-3H3,(H,11,12)

InChI Key

GZBUMXFWJBMWEE-UHFFFAOYSA-N

Formula

C10H13NO3

SMILES

CCOC(=O)c1c(C)cc(C)nc1O

Molecular Weight¹

195.22

CAS

16108-48-8

• 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).
• 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

Cheméo can also estimate Critical Temperature, 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.

Similar Compounds

Find more compounds similar to Nicotinic acid, 1,2-dihydro-4,6-dimethyl-2-oxo-,ethyl ester.

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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