Chemical Properties of 1-Naphthalenol, phosphate (3:1) (CAS 4004-51-7)

InChI

InChI=1S/C30H21O4P/c31-35(32-28-19-7-13-22-10-1-4-16-25(22)28,33-29-20-8-14-23-11-2-5-17-26(23)29)34-30-21-9-15-24-12-3-6-18-27(24)30/h1-21H

InChI Key

DBPYGJOORSXBMI-UHFFFAOYSA-N

Formula

C30H21O4P

SMILES

O=P(Oc1cccc2ccccc12)(Oc1cccc2ccccc12)Oc1cccc2ccccc12

Molecular Weight¹

476.46

CAS

4004-51-7

Other Names

• 1-Naphthol, phosphate (3:1)
• Phosphoric acid, tri-1-naphthyl ester

• 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).
• 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

Cheméo can also estimate Critical Pressure, 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 1-Naphthalenol, phosphate (3:1).

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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