Chemical Properties of 2-Butenoic acid, 3-[(dimethoxyphosphinyl)oxy]-, methyl ester, (E)- (CAS 298-01-1)

InChI

InChI=1S/C7H13O6P/c1-6(5-7(8)10-2)13-14(9,11-3)12-4/h5H,1-4H3/b6-5+

InChI Key

GEPDYQSQVLXLEU-AATRIKPKSA-N

Formula

C7H13O6P

SMILES

COC(=O)C=C(C)OP(=O)(OC)OC

Molecular Weight¹

224.15

CAS

298-01-1

Other Names

• Crotonic acid, 3-hydroxy-, methyl ester, dimethyl phosphate, (E)-
• cis-Phosdrin
• OS 2046
• 2-Methoxycarbonyl-1-methylvinyl dimethyl phosphate
• Apavinphos
• (E)-Mevinphos
• trans-Mevinphos
• Methyl (2E)-3-[(dimethoxyphosphoryl)oxy]-2-butenoate
• 2-Butenoic acid, 3-[(dimethoxyphosphinyl)oxy]-, methyl ester, (2E)-
• cis-Mevinphos
• «alpha»-Mevinphos
• Mevinphos
• methyl 3-[(dimethoxyphosphinyl)oxy]crotonate

• 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.
• 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°	72.78	kJ/mol	Relay (1.0) Calculated Property
log10WS	-0.06		Relay (1.0) Calculated Property
logPoct/wat	1.481		Crippen Calculated Property
McVol	156.570	ml/mol	McGowan Calculated Property
Inp	[1390.00; 1450.00]
Inp	1390.00		NIST
Inp	1396.00		NIST
Inp	1406.00		NIST
Inp	1394.00		NIST
Inp	1450.00		NIST
Inp	1424.00		NIST
Inp	1450.00		NIST
Inp	1424.00		NIST
Tboil	533.04	K	Relay (1.0) Calculated Property
Tfus	265.64	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, 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 2-Butenoic acid, 3-[(dimethoxyphosphinyl)oxy]-, methyl ester, (E)-.

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

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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