Chemical Properties of [1,1'-Biphenyl]-2-yl 4-tert-butylphenyl phenyl phosphate (CAS 116401-98-0)

InChI

InChI=1S/C28H27O4P/c1-28(2,3)23-18-20-25(21-19-23)31-33(29,30-24-14-8-5-9-15-24)32-27-17-11-10-16-26(27)22-12-6-4-7-13-22/h4-21H,1-3H3

InChI Key

FJYBMEAYPNNHJG-UHFFFAOYSA-N

Formula

C28H27O4P

SMILES

CC(C)(C)c1ccc(OP(=O)(Oc2ccccc2)Oc2ccccc2-c2ccccc2)cc1

Molecular Weight¹

458.49

CAS

116401-98-0

• 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 [1,1'-Biphenyl]-2-yl 4-tert-butylphenyl phenyl phosphate.

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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