Chemical Properties of Isonipecotic acid, N-(3-chloropropionyl)-, heptadecyl ester

InChI

InChI=1S/C26H48ClNO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-31-26(30)24-18-21-28(22-19-24)25(29)17-20-27/h24H,2-23H2,1H3

InChI Key

IYMLZRTXSMSRQI-UHFFFAOYSA-N

Formula

C26H48ClNO3

SMILES

CCCCCCCCCCCCCCCCCOC(=O)C1CCN(C(=O)CCCl)CC1

Molecular Weight¹

458.12

• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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 Isonipecotic acid, N-(3-chloropropionyl)-, heptadecyl 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

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.
These property values are available through the Cheméo API. A free account gives you an access key.