Chemical Properties of (p-Chloro-Benzoyl)-phosphonic acid diethyl ester

InChI

InChI=1S/C11H14ClO4P/c1-3-15-17(14,16-4-2)11(13)9-5-7-10(12)8-6-9/h5-8H,3-4H2,1-2H3

InChI Key

VDKATAVRWLSKCS-UHFFFAOYSA-N

Formula

C11H14ClO4P

SMILES

CCOP(=O)(OCC)C(=O)c1ccc(Cl)cc1

Molecular Weight¹

276.65

• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• 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
ΔfH°gas	-667.96	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	85.82	kJ/mol	Relay (1.0) Calculated Property
IE	8.63	eV	Relay (1.0) Calculated Property
log10WS	-2.91		Relay (1.0) Calculated Property
logPoct/wat	3.746		Crippen Calculated Property
McVol	193.970	ml/mol	McGowan Calculated Property
Inp	[1811.00; 1821.00]
Inp	1811.00		NIST
Inp	1821.00		NIST
Inp	1811.00		NIST
Tboil	611.45	K	Relay (1.0) Calculated Property
Tfus	286.77	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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 (p-Chloro-Benzoyl)-phosphonic acid diethyl 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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