Chemical Properties of Dibutyl butanephosphonate (CAS 78-46-6)

InChI

InChI=1S/C12H27O3P/c1-4-7-10-14-16(13,12-9-6-3)15-11-8-5-2/h4-12H2,1-3H3

InChI Key

JPGXOMADPRULAC-UHFFFAOYSA-N

Formula

C12H27O3P

SMILES

CCCCOP(=O)(CCCC)OCCCC

Molecular Weight¹

250.31

CAS

78-46-6

Other Names

• Di-n-butyl n-butylphosphonate
• Dibutylbutylphosphonate
• dibutyl butylphosphonate
• phosphonic acid, butyl-, dibutyl ester

• ω : Acentric Factor.
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• 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).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Similar Compounds

Find more compounds similar to Dibutyl butanephosphonate.

Mixtures

• Carbon dioxide + Dibutyl butanephosphonate

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
• Solubility of dialkylalkyl phosphonates in supercritical carbon dioxide: experimental and modeling approach
• Correlation of normal boiling points of dialkylalkyl phosphonates with topological indices on the gas chromatographic retention data
• McGowan Method
• NIST Webbook

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