Chemical Properties of Phenylphosphonic acid, hexyl ethyl ester

InChI

InChI=1S/C14H23O3P/c1-3-5-6-10-13-17-18(15,16-4-2)14-11-8-7-9-12-14/h7-9,11-12H,3-6,10,13H2,1-2H3

InChI Key

LXVXKGJTEWMLSN-UHFFFAOYSA-N

Formula

C14H23O3P

SMILES

CCCCCCOP(=O)(OCC)c1ccccc1

Molecular Weight¹

270.31

• 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°	89.13	kJ/mol	Relay (1.0) Calculated Property
log10WS	-3.47		Relay (1.0) Calculated Property
logPoct/wat	4.138		Crippen Calculated Property
McVol	222.430	ml/mol	McGowan Calculated Property
Pc	1735.34	kPa	Relay (1.0-beta) Calculated Property
Inp	[1916.00; 1916.00]
Inp	1916.00		NIST
Inp	1916.00		NIST
Tboil	601.71	K	Relay (1.0) Calculated Property
Tfus	244.36	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, hexyl ethyl 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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