Chemical Properties of Diisopropyl methanephosphonate (CAS 1445-75-6)

InChI

InChI=1S/C7H17O3P/c1-6(2)9-11(5,8)10-7(3)4/h6-7H,1-5H3

InChI Key

WOAFDHWYKSOANX-UHFFFAOYSA-N

Formula

C7H17O3P

SMILES

CC(C)OP(C)(=O)OC(C)C

Molecular Weight¹

180.18

CAS

1445-75-6

Other Names

• DIMP
• Diisopropyl methylphosphonate
• Dimp (phosphonate)
• Methyl-phosphonic acid diisopropyl ester
• O,O-Diisopropyl methylphosphonate
• Phosphonic acid, methyl-, O,O-bis-isopropyl ester
• Phosphonic acid, methyl-, bis(1-methylethyl) ester
• Phosphonic acid, methyl-, diisopropyl ester
• bis(1-methylethyl) methylphosphonate

• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• 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.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔvapH°	57.60	kJ/mol	NIST
logPoct/wat	2.659		Crippen Calculated Property
McVol	147.560	ml/mol	McGowan Calculated Property
Inp	[1058.00; 1085.00]
Inp	1073.00		NIST
Inp	1066.00		NIST
Inp	1075.00		NIST
Inp	Outlier 1085.00		NIST
Inp	1067.00		NIST
Inp	1072.70		NIST
Inp	1073.00		NIST
Inp	1059.00		NIST
Inp	1058.00		NIST
Inp	1067.00		NIST
Inp	1073.00		NIST
Inp	1066.00		NIST
Inp	1073.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, 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
ΔvapH	[52.40; 62.10]	kJ/mol	[360.50; 360.50]
ΔvapH	62.10	kJ/mol	360.50	NIST
ΔvapH	58.90	kJ/mol	360.50	NIST
ΔvapH	56.50	kJ/mol	360.50	NIST
ΔvapH	54.20	kJ/mol	360.50	NIST
ΔvapH	52.40	kJ/mol	360.50	NIST
Pvap	[6.19e-04; 100.30]	kPa	[253.20; 468.00]
Pvap	6.19e-04	kPa	253.20	Vapor Pressure of Organophosphorus Nerve Agent Simulant Compounds
Pvap	1.88e-03	kPa	263.20	Vapor Pressure of Organophosphorus Nerve Agent Simulant Compounds
Pvap	5.02e-03	kPa	273.20	Vapor Pressure of Organophosphorus Nerve Agent Simulant Compounds
Pvap	0.01	kPa	283.20	Vapor Pressure of Organophosphorus Nerve Agent Simulant Compounds
Pvap	0.03	kPa	293.20	Vapor Pressure of Organophosphorus Nerve Agent Simulant Compounds
Pvap	0.65	kPa	338.90	Vapor Pressure of Organophosphorus Nerve Agent Simulant Compounds
Pvap	0.67	kPa	339.80	Vapor Pressure of Organophosphorus Nerve Agent Simulant Compounds
Pvap	0.81	kPa	341.60	Vapor Pressure of Organophosphorus Nerve Agent Simulant Compounds
Pvap	0.81	kPa	342.10	Vapor Pressure of Organophosphorus Nerve Agent Simulant Compounds
Pvap	1.04	kPa	346.20	Vapor Pressure of Organophosphorus Nerve Agent Simulant Compounds
Pvap	1.08	kPa	347.00	Vapor Pressure of Organophosphorus Nerve Agent Simulant Compounds
Pvap	1.35	kPa	350.90	Vapor Pressure of Organophosphorus Nerve Agent Simulant Compounds
Pvap	2.01	kPa	358.00	Vapor Pressure of Organophosphorus Nerve Agent Simulant Compounds
Pvap	3.20	kPa	367.40	Vapor Pressure of Organophosphorus Nerve Agent Simulant Compounds
Pvap	4.68	kPa	376.00	Vapor Pressure of Organophosphorus Nerve Agent Simulant Compounds
Pvap	7.99	kPa	388.60	Vapor Pressure of Organophosphorus Nerve Agent Simulant Compounds
Pvap	10.65	kPa	396.10	Vapor Pressure of Organophosphorus Nerve Agent Simulant Compounds
Pvap	19.87	kPa	412.10	Vapor Pressure of Organophosphorus Nerve Agent Simulant Compounds
Pvap	39.96	kPa	434.40	Vapor Pressure of Organophosphorus Nerve Agent Simulant Compounds
Pvap	100.30	kPa	468.00	Vapor Pressure of Organophosphorus Nerve Agent Simulant Compounds

Similar Compounds

Find more compounds similar to Diisopropyl methanephosphonate.

Sources

• 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
• Vapor Pressure of Organophosphorus Nerve Agent Simulant Compounds
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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