Chemical Properties of Phenylphosphonic acid, ethyl hexadecyl ester

InChI

InChI=1S/C24H43O3P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-20-23-27-28(25,26-4-2)24-21-18-17-19-22-24/h17-19,21-22H,3-16,20,23H2,1-2H3

InChI Key

PTUMKMLVEDNJCU-UHFFFAOYSA-N

Formula

C24H43O3P

SMILES

CCCCCCCCCCCCCCCCOP(=O)(OCC)c1ccccc1

Molecular Weight¹

410.58

• 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°	128.98	kJ/mol	Relay (1.0) Calculated Property
log10WS	-7.03		Relay (1.0) Calculated Property
logPoct/wat	8.039		Crippen Calculated Property
McVol	363.330	ml/mol	McGowan Calculated Property
Pc	809.03	kPa	Relay (1.0-beta) Calculated Property
Inp	[2928.00; 2928.00]
Inp	2928.00		NIST
Inp	2928.00		NIST
Tboil	676.61	K	Relay (1.0) Calculated Property
Tfus	287.29	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 hexadecyl 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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