Chemical Properties of Phosphonic acid, (carbamoylmethyl)-, dibenzyl ester (CAS 101288-23-7)

InChI

InChI=1S/C16H18NO4P/c17-16(18)13-22(19,20-11-14-7-3-1-4-8-14)21-12-15-9-5-2-6-10-15/h1-10H,11-13H2,(H2,17,18)

InChI Key

MLSSAYAOIBJWSS-UHFFFAOYSA-N

Formula

C16H18NO4P

SMILES

N=C(O)CP(=O)(OCc1ccccc1)OCc1ccccc1

Molecular Weight¹

319.29

CAS

101288-23-7

• 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).
• 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 Pressure, Critical Volume, Enthalpy of formation at standard conditions, 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 Phosphonic acid, (carbamoylmethyl)-, dibenzyl 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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