Chemical Properties of Phenylphosphonic acid, dodecyl propyl ester

InChI

InChI=1S/C21H37O3P/c1-3-5-6-7-8-9-10-11-12-16-20-24-25(22,23-19-4-2)21-17-14-13-15-18-21/h13-15,17-18H,3-12,16,19-20H2,1-2H3

InChI Key

OBHGNTMZSMACDP-UHFFFAOYSA-N

Formula

C21H37O3P

SMILES

CCCCCCCCCCCCOP(=O)(OCCC)c1ccccc1

Molecular Weight¹

368.50

• 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°	114.32	kJ/mol	Relay (1.0) Calculated Property
log10WS	-6.10		Relay (1.0) Calculated Property
logPoct/wat	6.869		Crippen Calculated Property
McVol	321.060	ml/mol	McGowan Calculated Property
Pc	1101.62	kPa	Relay (1.0-beta) Calculated Property
Inp	[2610.00; 2610.00]
Inp	2610.00		NIST
Inp	2610.00		NIST
Tboil	657.18	K	Relay (1.0) Calculated Property
Tfus	267.63	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, dodecyl propyl 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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