Chemical Properties of Phenylphosphonic acid, dodecyl isobutyl ester

InChI

InChI=1S/C22H39O3P/c1-4-5-6-7-8-9-10-11-12-16-19-24-26(23,25-20-21(2)3)22-17-14-13-15-18-22/h13-15,17-18,21H,4-12,16,19-20H2,1-3H3

InChI Key

XQHSUSAHBOHMSQ-UHFFFAOYSA-N

Formula

C22H39O3P

SMILES

CCCCCCCCCCCCOP(=O)(OCC(C)C)c1ccccc1

Molecular Weight¹

382.52

• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• 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°	113.37	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	7.115		Crippen Calculated Property
McVol	335.150	ml/mol	McGowan Calculated Property
Pc	955.13	kPa	Relay (1.0-beta) Calculated Property
Inp	[2642.00; 2642.00]
Inp	2642.00		NIST
Inp	2642.00		NIST
Tboil	663.98	K	Relay (1.0) Calculated Property
Tfus	271.54	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, Log10 of Water solubility in mol/l 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 isobutyl 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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