Chemical Properties of Phosphonic acid, dimethyl ester (CAS 868-85-9)

InChI

InChI=1S/C2H7O3P/c1-4-6(3)5-2/h6H,1-2H3

InChI Key

HZCDANOFLILNSA-UHFFFAOYSA-N

Formula

C2H7O3P

SMILES

CO[PH](=O)OC

Molecular Weight¹

110.05

CAS

868-85-9

Other Names

• Dimethyl phosphite
• dimethyl phosphonate

• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• η : Dynamic viscosity (Pa×s).
• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_vap : Vapor pressure (kPa).
• 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
PAff	894.80	kJ/mol	NIST
BasG	862.40	kJ/mol	NIST
ΔvapH°	46.70	kJ/mol	NIST
IE	[10.50; 10.53]	eV
IE	10.53	eV	NIST
IE	10.53	eV	NIST
IE	10.50	eV	NIST
logPoct/wat	0.669		Crippen Calculated Property
McVol	77.110	ml/mol	McGowan Calculated Property
Tboil	443.35	K	Vapor Pressure of Dimethyl Phosphite and Dimethyl Methylphosphonate
Tfus	213.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
η	[0.0008080; 0.0013610]	Pa×s	[293.15; 333.15]
η	0.0013610	Pa×s	293.15	Densities and Viscosities of Binary Mixtures of Methanol with Dimethyl Methylphosphonate and Dimethyl Phosphite from (293.15 to 333.15) K
η	0.0012730	Pa×s	298.15	Densities and Viscosities of Binary Mixtures of Methanol with Dimethyl Methylphosphonate and Dimethyl Phosphite from (293.15 to 333.15) K
η	0.0011790	Pa×s	303.15	Densities and Viscosities of Binary Mixtures of Methanol with Dimethyl Methylphosphonate and Dimethyl Phosphite from (293.15 to 333.15) K
η	0.0011010	Pa×s	308.15	Densities and Viscosities of Binary Mixtures of Methanol with Dimethyl Methylphosphonate and Dimethyl Phosphite from (293.15 to 333.15) K
η	0.0010170	Pa×s	313.15	Densities and Viscosities of Binary Mixtures of Methanol with Dimethyl Methylphosphonate and Dimethyl Phosphite from (293.15 to 333.15) K
η	0.0008970	Pa×s	323.15	Densities and Viscosities of Binary Mixtures of Methanol with Dimethyl Methylphosphonate and Dimethyl Phosphite from (293.15 to 333.15) K
η	0.0008080	Pa×s	333.15	Densities and Viscosities of Binary Mixtures of Methanol with Dimethyl Methylphosphonate and Dimethyl Phosphite from (293.15 to 333.15) K
ΔvapH	[38.70; 48.30]	kJ/mol	[343.00; 401.00]
ΔvapH	48.30	kJ/mol	343.00	NIST
ΔvapH	47.90	kJ/mol	343.00	NIST
ΔvapH	46.40	kJ/mol	343.00	NIST
ΔvapH	46.00	kJ/mol	343.00	NIST
ΔvapH	45.40	kJ/mol	343.00	NIST
ΔvapH	46.70	kJ/mol	398.00	NIST
ΔvapH	38.70	kJ/mol	401.00	NIST
Pvap	[3.18e-03; 101.33]	kPa	[243.20; 443.35]
Pvap	3.18e-03	kPa	243.20	Vapor Pressure of Organophosphorus Nerve Agent Simulant Compounds
Pvap	7.91e-03	kPa	253.20	Vapor Pressure of Organophosphorus Nerve Agent Simulant Compounds
Pvap	0.02	kPa	263.20	Vapor Pressure of Organophosphorus Nerve Agent Simulant Compounds
Pvap	0.05	kPa	273.20	Vapor Pressure of Organophosphorus Nerve Agent Simulant Compounds
Pvap	0.10	kPa	283.20	Vapor Pressure of Organophosphorus Nerve Agent Simulant Compounds
Pvap	0.23	kPa	303.30	Vapor Pressure of Organophosphorus Nerve Agent Simulant Compounds
Pvap	0.35	kPa	309.30	Vapor Pressure of Organophosphorus Nerve Agent Simulant Compounds
Pvap	0.53	kPa	316.40	Vapor Pressure of Organophosphorus Nerve Agent Simulant Compounds
Pvap	0.71	kPa	320.10	Vapor Pressure of Organophosphorus Nerve Agent Simulant Compounds
Pvap	0.84	kPa	321.80	Vapor Pressure of Organophosphorus Nerve Agent Simulant Compounds
Pvap	1.03	kPa	324.70	Vapor Pressure of Organophosphorus Nerve Agent Simulant Compounds
Pvap	1.29	kPa	328.40	Vapor Pressure of Organophosphorus Nerve Agent Simulant Compounds
Pvap	2.04	kPa	337.20	Vapor Pressure of Organophosphorus Nerve Agent Simulant Compounds
Pvap	2.63	kPa	341.80	Vapor Pressure of Organophosphorus Nerve Agent Simulant Compounds
Pvap	3.96	kPa	350.80	Vapor Pressure of Organophosphorus Nerve Agent Simulant Compounds
Pvap	4.10	kPa	352.85	Vapor Pressure of Dimethyl Phosphite and Dimethyl Methylphosphonate
Pvap	4.33	kPa	354.05	Vapor Pressure of Dimethyl Phosphite and Dimethyl Methylphosphonate
Pvap	4.87	kPa	356.87	Vapor Pressure of Dimethyl Phosphite and Dimethyl Methylphosphonate
Pvap	4.93	kPa	357.35	Vapor Pressure of Dimethyl Phosphite and Dimethyl Methylphosphonate
Pvap	5.80	kPa	360.85	Vapor Pressure of Dimethyl Phosphite and Dimethyl Methylphosphonate
Pvap	6.40	kPa	361.40	Vapor Pressure of Organophosphorus Nerve Agent Simulant Compounds
Pvap	6.70	kPa	364.20	Vapor Pressure of Dimethyl Phosphite and Dimethyl Methylphosphonate
Pvap	7.47	kPa	367.05	Vapor Pressure of Dimethyl Phosphite and Dimethyl Methylphosphonate
Pvap	8.60	kPa	369.95	Vapor Pressure of Dimethyl Phosphite and Dimethyl Methylphosphonate
Pvap	9.39	kPa	372.45	Vapor Pressure of Dimethyl Phosphite and Dimethyl Methylphosphonate
Pvap	10.96	kPa	376.07	Vapor Pressure of Dimethyl Phosphite and Dimethyl Methylphosphonate
Pvap	12.16	kPa	378.85	Vapor Pressure of Dimethyl Phosphite and Dimethyl Methylphosphonate
Pvap	13.32	kPa	379.70	Vapor Pressure of Organophosphorus Nerve Agent Simulant Compounds
Pvap	14.01	kPa	382.43	Vapor Pressure of Dimethyl Phosphite and Dimethyl Methylphosphonate
Pvap	16.94	kPa	387.65	Vapor Pressure of Dimethyl Phosphite and Dimethyl Methylphosphonate
Pvap	19.85	kPa	391.75	Vapor Pressure of Dimethyl Phosphite and Dimethyl Methylphosphonate
Pvap	23.33	kPa	396.75	Vapor Pressure of Dimethyl Phosphite and Dimethyl Methylphosphonate
Pvap	24.17	kPa	397.55	Vapor Pressure of Dimethyl Phosphite and Dimethyl Methylphosphonate
Pvap	25.46	kPa	398.75	Vapor Pressure of Dimethyl Phosphite and Dimethyl Methylphosphonate
Pvap	29.32	kPa	402.95	Vapor Pressure of Dimethyl Phosphite and Dimethyl Methylphosphonate
Pvap	34.77	kPa	408.05	Vapor Pressure of Dimethyl Phosphite and Dimethyl Methylphosphonate
Pvap	39.96	kPa	412.40	Vapor Pressure of Organophosphorus Nerve Agent Simulant Compounds
Pvap	41.60	kPa	413.45	Vapor Pressure of Dimethyl Phosphite and Dimethyl Methylphosphonate
Pvap	46.60	kPa	416.75	Vapor Pressure of Dimethyl Phosphite and Dimethyl Methylphosphonate
Pvap	55.24	kPa	422.46	Vapor Pressure of Dimethyl Phosphite and Dimethyl Methylphosphonate
Pvap	57.79	kPa	423.90	Vapor Pressure of Dimethyl Phosphite and Dimethyl Methylphosphonate
Pvap	65.89	kPa	428.03	Vapor Pressure of Dimethyl Phosphite and Dimethyl Methylphosphonate
Pvap	71.50	kPa	430.85	Vapor Pressure of Dimethyl Phosphite and Dimethyl Methylphosphonate
Pvap	79.35	kPa	434.80	Vapor Pressure of Dimethyl Phosphite and Dimethyl Methylphosphonate
Pvap	86.14	kPa	437.05	Vapor Pressure of Dimethyl Phosphite and Dimethyl Methylphosphonate
Pvap	89.11	kPa	438.59	Vapor Pressure of Dimethyl Phosphite and Dimethyl Methylphosphonate
Pvap	93.10	kPa	440.35	Vapor Pressure of Dimethyl Phosphite and Dimethyl Methylphosphonate
Pvap	96.63	kPa	441.85	Vapor Pressure of Dimethyl Phosphite and Dimethyl Methylphosphonate
Pvap	99.93	kPa	443.20	Vapor Pressure of Organophosphorus Nerve Agent Simulant Compounds
Pvap	101.33	kPa	443.35	Vapor Pressure of Dimethyl Phosphite and Dimethyl Methylphosphonate

Similar Compounds

Find more compounds similar to Phosphonic acid, dimethyl ester.

Mixtures

• Phosphonic acid, dimethyl ester + Methyl Alcohol

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• 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
• Densities and Viscosities of Binary Mixtures of Methanol with Dimethyl Methylphosphonate and Dimethyl Phosphite from (293.15 to 333.15) K
• Vapor Pressure of Organophosphorus Nerve Agent Simulant Compounds
• Vapor Pressure of Dimethyl Phosphite and Dimethyl Methylphosphonate
• McGowan Method
• NIST Webbook

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