Chemical Properties of Diethyl methanephosphonate (CAS 683-08-9)

InChI

InChI=1S/C5H13O3P/c1-4-7-9(3,6)8-5-2/h4-5H2,1-3H3

InChI Key

NYYLZXREFNYPKB-UHFFFAOYSA-N

Formula

C5H13O3P

SMILES

CCOP(C)(=O)OCC

Molecular Weight¹

152.13

CAS

683-08-9

Other Names

• DEMP
• Diethoxymethylphosphine oxide
• Methylphosphonic acid, diethyl ester
• O,O-diethyl methylphosphonate
• diethyl methylphosphonate
• phosphonic acid, methyl-, diethyl ester

• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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_vap : Vapor 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°	55.90	kJ/mol	NIST
IE	9.98	eV	Relay (1.0) Calculated Property
log10WS	0.15		Relay (1.0) Calculated Property
logPoct/wat	1.882		Crippen Calculated Property
McVol	119.380	ml/mol	McGowan Calculated Property
Inp	[975.00; 1015.10]
Inp	975.00		NIST
Inp	1006.50		NIST
Inp	1015.00		NIST
Inp	975.00		NIST
Inp	1006.50		NIST
Inp	975.00		NIST
Inp	1015.10		NIST
Inp	1015.00		NIST
Inp	975.00		NIST
Tboil	473.28	K	Relay (1.0) Calculated Property
Tfus	233.81	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ΔvapH	[51.20; 60.60]	kJ/mol	[359.00; 372.50]
ΔvapH	60.60	kJ/mol	359.00	NIST
ΔvapH	57.20	kJ/mol	359.00	NIST
ΔvapH	54.70	kJ/mol	359.00	NIST
ΔvapH	53.40	kJ/mol	359.00	NIST
ΔvapH	51.20	kJ/mol	359.00	NIST
ΔvapH	51.80	kJ/mol	372.50	NIST
Pvap	[8.62e-04; 101.40]	kPa	[253.20; 465.90]
Pvap	8.62e-04	kPa	253.20	Vapor Pressure of Organophosphorus Nerve Agent Simulant Compounds
Pvap	2.56e-03	kPa	263.20	Vapor Pressure of Organophosphorus Nerve Agent Simulant Compounds
Pvap	6.88e-03	kPa	273.20	Vapor Pressure of Organophosphorus Nerve Agent Simulant Compounds
Pvap	0.02	kPa	283.20	Vapor Pressure of Organophosphorus Nerve Agent Simulant Compounds
Pvap	0.04	kPa	293.20	Vapor Pressure of Organophosphorus Nerve Agent Simulant Compounds
Pvap	0.15	kPa	316.80	Vapor Pressure of Organophosphorus Nerve Agent Simulant Compounds
Pvap	0.19	kPa	318.90	Vapor Pressure of Organophosphorus Nerve Agent Simulant Compounds
Pvap	0.23	kPa	321.10	Vapor Pressure of Organophosphorus Nerve Agent Simulant Compounds
Pvap	0.25	kPa	322.20	Vapor Pressure of Organophosphorus Nerve Agent Simulant Compounds
Pvap	0.28	kPa	324.70	Vapor Pressure of Organophosphorus Nerve Agent Simulant Compounds
Pvap	0.36	kPa	327.30	Vapor Pressure of Organophosphorus Nerve Agent Simulant Compounds
Pvap	0.47	kPa	331.10	Vapor Pressure of Organophosphorus Nerve Agent Simulant Compounds
Pvap	0.64	kPa	335.20	Vapor Pressure of Organophosphorus Nerve Agent Simulant Compounds
Pvap	0.80	kPa	339.80	Vapor Pressure of Organophosphorus Nerve Agent Simulant Compounds
Pvap	0.96	kPa	343.30	Vapor Pressure of Organophosphorus Nerve Agent Simulant Compounds
Pvap	1.17	kPa	346.40	Vapor Pressure of Organophosphorus Nerve Agent Simulant Compounds
Pvap	1.66	kPa	353.30	Vapor Pressure of Organophosphorus Nerve Agent Simulant Compounds
Pvap	2.36	kPa	359.40	Vapor Pressure of Organophosphorus Nerve Agent Simulant Compounds
Pvap	4.00	kPa	370.30	Vapor Pressure of Organophosphorus Nerve Agent Simulant Compounds
Pvap	6.64	kPa	382.60	Vapor Pressure of Organophosphorus Nerve Agent Simulant Compounds
Pvap	12.01	kPa	397.30	Vapor Pressure of Organophosphorus Nerve Agent Simulant Compounds
Pvap	20.03	kPa	411.00	Vapor Pressure of Organophosphorus Nerve Agent Simulant Compounds
Pvap	40.05	kPa	433.30	Vapor Pressure of Organophosphorus Nerve Agent Simulant Compounds
Pvap	101.40	kPa	465.90	Vapor Pressure of Organophosphorus Nerve Agent Simulant Compounds

Similar Compounds

Find more compounds similar to Diethyl methanephosphonate.

Mixtures

• Diethyl methanephosphonate + Carbon dioxide
• Diethyl methanephosphonate + Methane

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
• Experimental Determination of the Solubilities of CO2 and CH4 in Diethyl Methylphosphonate
• Vapor Pressure of Organophosphorus Nerve Agent Simulant Compounds
• McGowan Method
• NIST Webbook

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