Chemical Properties of Phosphonic acid, ethyl-, ethyl ester, diester wtih 1,4-butanediol (CAS 5284-05-9)

InChI

InChI=1S/C12H28O6P2/c1-5-15-19(13,7-3)17-11-9-10-12-18-20(14,8-4)16-6-2/h5-12H2,1-4H3

InChI Key

QHXHEDUSWYCAHZ-UHFFFAOYSA-N

Formula

C12H28O6P2

SMILES

CCOP(=O)(CC)OCCCCOP(=O)(CC)OCC

Molecular Weight¹

330.29

CAS

5284-05-9

• 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, ethyl-, ethyl ester, diester wtih 1,4-butanediol.

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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