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

• ω : Acentric Factor.
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.6055		Relay (1.0) Calculated Property
ΔfG°	-371.89	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-667.96	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	84.61	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
Pc	2063.10	kPa	Relay (1.0-beta) 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
Tc	783.57	K	Relay (1.0) Calculated Property
Tfus	291.31	K	Relay (1.0) Calculated Property
Vc	0.706	m3/kmol	Relay (1.0) Calculated Property

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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