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

InChI

InChI=1S/C12H17O5P/c1-4-16-18(14,17-5-2)12(13)10-6-8-11(15-3)9-7-10/h6-9H,4-5H2,1-3H3

InChI Key

SDVRDVLYLCQGPF-UHFFFAOYSA-N

Formula

C12H17O5P

SMILES

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

Molecular Weight¹

272.23

• 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	0.6883		Relay (1.0) Calculated Property
ΔfG°	-434.73	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-777.25	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	83.34	kJ/mol	Relay (1.0) Calculated Property
IE	7.96	eV	Relay (1.0) Calculated Property
log10WS	-2.35		Relay (1.0) Calculated Property
logPoct/wat	3.102		Crippen Calculated Property
McVol	201.690	ml/mol	McGowan Calculated Property
Pc	1896.11	kPa	Relay (1.0-beta) Calculated Property
Inp	[1952.00; 1964.00]
Inp	1952.00		NIST
Inp	1964.00		NIST
Inp	1952.00		NIST
Tboil	622.76	K	Relay (1.0) Calculated Property
Tc	789.10	K	Relay (1.0) Calculated Property
Tfus	307.77	K	Relay (1.0) Calculated Property
Vc	0.745	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to (p-Methoxy-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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