Chemical Properties of Phenylphosphonic acid, hexyl propyl ester

InChI

InChI=1S/C15H25O3P/c1-3-5-6-10-14-18-19(16,17-13-4-2)15-11-8-7-9-12-15/h7-9,11-12H,3-6,10,13-14H2,1-2H3

InChI Key

UQUWMVKFBVMWMA-UHFFFAOYSA-N

Formula

C15H25O3P

SMILES

CCCCCCOP(=O)(OCCC)c1ccccc1

Molecular Weight¹

284.33

• 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°	91.36	kJ/mol	Relay (1.0) Calculated Property
log10WS	-3.88		Relay (1.0) Calculated Property
logPoct/wat	4.529		Crippen Calculated Property
McVol	236.520	ml/mol	McGowan Calculated Property
Pc	1662.74	kPa	Relay (1.0-beta) Calculated Property
Inp	[1998.00; 1998.00]
Inp	1998.00		NIST
Inp	1998.00		NIST
Tboil	611.30	K	Relay (1.0) Calculated Property
Tfus	237.70	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 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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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