Chemical Properties of Hydrocinnamic acid, 2-phosphono-, p,p-diisopropyl c-methyl ester (CAS 116401-34-4)

InChI

InChI=1S/C16H25O5P/c1-12(2)20-22(18,21-13(3)4)15(16(17)19-5)11-14-9-7-6-8-10-14/h6-10,12-13,15H,11H2,1-5H3

InChI Key

UEXRQYHLWCJVSL-UHFFFAOYSA-N

Formula

C16H25O5P

SMILES

COC(=O)C(Cc1ccccc1)P(=O)(OC(C)C)OC(C)C

Molecular Weight¹

328.34

CAS

116401-34-4

• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• 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).
• 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, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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 Hydrocinnamic acid, 2-phosphono-, p,p-diisopropyl c-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

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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.