Chemical Properties of Phenylphosphonic acid, ethyl pentadecyl ester

InChI

InChI=1S/C23H41O3P/c1-3-5-6-7-8-9-10-11-12-13-14-15-19-22-26-27(24,25-4-2)23-20-17-16-18-21-23/h16-18,20-21H,3-15,19,22H2,1-2H3

InChI Key

GEGFQJPWGSCZID-UHFFFAOYSA-N

Formula

C23H41O3P

SMILES

CCCCCCCCCCCCCCCOP(=O)(OCC)c1ccccc1

Molecular Weight¹

396.54

• 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).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔvapH°	123.43	kJ/mol	Relay (1.0) Calculated Property
log10WS	-6.72		Relay (1.0) Calculated Property
logPoct/wat	7.649		Crippen Calculated Property
McVol	349.240	ml/mol	McGowan Calculated Property
Pc	921.73	kPa	Relay (1.0-beta) Calculated Property
Inp	[2820.00; 2820.00]
Inp	2820.00		NIST
Inp	2820.00		NIST
Tboil	669.92	K	Relay (1.0) Calculated Property
Tfus	288.13	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, 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 Phenylphosphonic acid, ethyl pentadecyl 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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