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5927-50-4

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Basic Information
CAS No.: 5927-50-4
Name: TETRAMETHYL ETHYLENEDIPHOSPHONATE
Article Data: 3
Molecular Structure:
Molecular Structure of 5927-50-4 (TETRAMETHYL ETHYLENEDIPHOSPHONATE)
Formula: C6H16O6P2
Molecular Weight: 246.137
Synonyms: Tetramethyl ethane-1,2-diylbis(phosphonate);Tetramethyl ethane nediphosphonate;Tetramethylethylenebisphosphonate;
Density: 1.222 g/cm3
Boiling Point: 324.2 °C at 760 mmHg
Flash Point: 163.7 °C
PSA: 90.68000
LogP: 1.95820
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Specification

The Phosphonic acid,P,P'-(1,2-ethanediyl)bis-, P,P,P',P'-tetramethyl ester, with the CAS registry number 5927-50-4, is also known as Tetramethylethylenebisphosphonate. This chemical's molecular formula is C6H16O6P2 and molecular weight is 246.14. What's more, its IUPAC name is 1,2-bis(dimethoxyphosphoryl)ethane.

Physical properties of Phosphonic acid,P,P'-(1,2-ethanediyl)bis-, P,P,P',P'-tetramethyl ester are: (1)ACD/LogP: -1.46; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.46; (4)ACD/LogD (pH 7.4): -1.46; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 3.81; (8)ACD/KOC (pH 7.4): 3.81; (9)#H bond acceptors: 6; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 90.68 Å2; (13)Index of Refraction: 1.416; (14)Molar Refractivity: 50.57 cm3; (15)Molar Volume: 201.3 cm3; (16)Polarizability: 20.04×10-24cm3; (17)Surface Tension: 36.1 dyne/cm; (18)Density: 1.222 g/cm3; (19)Flash Point: 163.7 °C; (20)Enthalpy of Vaporization: 54.37 kJ/mol; (21)Boiling Point: 324.2 °C at 760 mmHg; (22)Vapour Pressure: 0.000471 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=P(OC)(OC)CCP(=O)(OC)OC
(2)Std. InChI: InChI=1S/C6H16O6P2/c1-9-13(7,10-2)5-6-14(8,11-3)12-4/h5-6H2,1-4H3
(3)Std. InChIKey: YYZHSSQTEZXNGC-UHFFFAOYSA-N