Chemical Properties of Phosphoric acid, dimethyl 1-methyl-3-(methylamino)-3-oxo-1-propenyl ester, (Z)- (CAS 919-44-8)

InChI

InChI=1S/C7H14NO5P/c1-6(5-7(9)8-2)13-14(10,11-3)12-4/h5H,1-4H3,(H,8,9)/b6-5-

InChI Key

KRTSDMXIXPKRQR-WAYWQWQTSA-N

Formula

C7H14NO5P

SMILES

CNC(=O)C=C(C)OP(=O)(OC)OC

Molecular Weight¹

223.16

CAS

919-44-8

Other Names

• Phosphoric acid, dimethyl ester, ester with 3-hydroxy-N-methylcrotonamide, (Z)-
• Phosphoric acid, dimethyl 1-methyl-3-(methylamino)-2-oxo-1-propenyl ester, (Z)-
• Monocrotophos (Z)-analog
• Dimethyl cis-1-methyl-2-methylcarbamoylvinyl phosphate
• Dimethyl (1Z)-1-methyl-3-(methylamino)-3-oxo-1-propenyl phosphate
• Azodrin,cis
• cis-Azodrin
• Monocrotophos
• dimethyl (Z)-1-methyl-3-(methylamino)-3-oxoprop-1-enyl phosphate

• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
log10WS	0.33		Relay (1.0) Calculated Property
logPoct/wat	1.054		Crippen Calculated Property
McVol	160.680	ml/mol	McGowan Calculated Property
Inp	[1645.00; 1707.00]
Inp	1660.00		NIST
Inp	1673.00		NIST
Inp	1684.00		NIST
Inp	1690.00		NIST
Inp	1645.00		NIST
Inp	1707.00		NIST
Inp	1675.00		NIST
Inp	1660.00		NIST
Inp	1679.00		NIST
Tfus	307.39	K	Relay (1.0) Calculated Property

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

Similar Compounds

Find more compounds similar to Phosphoric acid, dimethyl 1-methyl-3-(methylamino)-3-oxo-1-propenyl ester, (Z)-.

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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