Chemical Properties of Dimethoate (CAS 60-51-5)

InChI

InChI=1S/C5H12NO3PS2/c1-6-5(7)4-12-10(11,8-2)9-3/h4H2,1-3H3,(H,6,7)

InChI Key

MCWXGJITAZMZEV-UHFFFAOYSA-N

Formula

C5H12NO3PS2

SMILES

CNC(=O)CSP(=S)(OC)OC

Molecular Weight¹

229.26

CAS

60-51-5

Other Names

• 8014 Bis HC
• Aadimethoal
• American Cyanamid 12880
• BI 58
• CL 12880
• Cygon
• Cygon 2-E
• Cygon 400
• Cygon 4E
• Cygon Insecticide
• Daphene
• De-Fend
• Dimeton
• Dimevur
• ENT-24650
• Experimental Insecticide 12880
• FIP
• Fosfamid
• Fosfatox R
• Fosfotox
• Fosfotox R
• Fosfotox R 35
• Fostion MM
• Lurgo
• O,O-Dimethyl S-(N-methylcarbamoylmethyl) dithiophosphate
• O,O-Dimethyl S-(N-methylcarbamoylmethyl) phosphorodithioate
• PEI 75
• Perfecthion
• Perfekthion
• Phosphamid
• Phosphamide
• Phosphorodithioic acid, O,O-dimethyl S-[2-(methylamino)-2-oxoethyl] ester
• Phosphorodithioic acid, O,O-dimethyl ester, S-ester with 2-mercapto-N-methylacetamide
• Racusan
• Rebelate
• Rogor
• Rogor 20 L
• Rogor 40
• Rogor L
• Rogor P
• Roxion
• S-Methylcarbamoylmethyl O,O-Dimethyl phosphorodithioate
• Sinoratox
• Sistemin
• Systemin
• Systoate
• Tara
• Tara 909
• Turbair
• o,o-Dimethyl s-[2-(methylamino)-2-oxoethyl] phosphorodithioate

• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• 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.
• Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔvapH°	95.00	kJ/mol	NIST
log10WS	-0.74		Aq. Solubility Prediction
logPoct/wat	0.983		Crippen Calculated Property
McVol	157.760	ml/mol	McGowan Calculated Property
Inp	[290.75; 1739.00]
Inp	1690.00		NIST
Inp	1727.00		NIST
Inp	1733.00		NIST
Inp	1707.00		NIST
Inp	1739.00		NIST
Inp	1731.00		NIST
Inp	1690.00		NIST
Inp	1720.00		NIST
Inp	1718.00		NIST
Inp	1724.00		NIST
Inp	1710.00		NIST
Inp	1710.00		NIST
Inp	1675.00		NIST
Inp	1736.00		NIST
Inp	1733.00		NIST
Inp	1720.00		NIST
Inp	1720.00		NIST
Inp	1733.00		NIST
Inp	1725.00		NIST
Inp	Outlier 290.75		NIST
Inp	Outlier 292.33		NIST
Inp	1710.00		NIST
Inp	1707.00		NIST
Tfus	[321.22; 324.90]	K
Tfus	324.90	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	324.90	K	Aq. Solubility Prediction
Tfus	321.22 ± 0.20	K	NIST
Tfus	324.60 ± 0.10	K	NIST

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ΔfusH	[20.49; 20.49]	kJ/mol	[321.00; 321.00]
ΔfusH	20.49	kJ/mol	321.00	NIST
ΔfusH	20.49	kJ/mol	321.00	NIST
ΔfusS	72.18	J/mol×K	321.00	NIST

Similar Compounds

Find more compounds similar to Dimethoate.

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
• Aqueous Solubility Prediction Method
• 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.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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