Chemical Properties of Isobutyric acid, 3-diisobutoxy-phosphinyl-, methyl ester (CAS 116595-32-5)

InChI

InChI=1S/C13H27O5P/c1-10(2)7-17-19(15,18-8-11(3)4)9-12(5)13(14)16-6/h10-12H,7-9H2,1-6H3

InChI Key

QZZBQOSHOLMNCH-UHFFFAOYSA-N

Formula

C13H27O5P

SMILES

COC(=O)C(C)CP(=O)(OCC(C)C)OCC(C)C

Molecular Weight¹

294.32

CAS

116595-32-5

• 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).
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal melting (fusion) point, 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 Isobutyric acid, 3-diisobutoxy-phosphinyl-, methyl 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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