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7203-67-0

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Basic Information
CAS No.: 7203-67-0
Name: TETRAETHYL(1,4-BUTYLENE)BISPHOSPHONATE
Article Data: 10
Molecular Structure:
Molecular Structure of 7203-67-0 (TETRAETHYL(1,4-BUTYLENE)BISPHOSPHONATE)
Formula: C12H28O6P2
Molecular Weight: 330.298
Synonyms: Phosphonicacid, tetramethylenedi-, tetraethyl ester (6CI,7CI,8CI);1,4-Bis(diethoxyphosphinyl)butane;Tetraethyl 1,4-butanediyldiphosphonic acid;Tetraethyl butane-1,4-diphosphonate;
Density: 1.099 g/cm3
Boiling Point: 415.8 °C at 760 mmHg
Flash Point: 218.7 °C
Safety: 24/25
PSA: 90.68000
LogP: 4.29880
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Specification

This chemical is called Tetraethyl butane-1,4-diylbis(phosphonate), and its CAS registry number is 7203-67-0. With the molecular formula of C12H28O6P2, its molecular weight is 330.29. 

Other characteristics of the Tetraethyl butane-1,4-diylbis(phosphonate) can be summarised as followings: (1)ACD/LogP: 1.18; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.18; (4)ACD/LogD (pH 7.4): 1.18; (5)ACD/BCF (pH 5.5): 4.65; (6)ACD/BCF (pH 7.4): 4.65; (7)ACD/KOC (pH 5.5): 104.59; (8)ACD/KOC (pH 7.4): 104.59; (9)#H bond acceptors: 6; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 13; (12)Polar Surface Area: 90.68 Å2; (13)Index of Refraction: 1.434; (14)Molar Refractivity: 78.37 cm3; (15)Molar Volume: 300.3 cm3; (16)Polarizability: 31.06×10-24cm3; (17)Surface Tension: 35.3 dyne/cm; (18)Density: 1.099 g/cm3; (19)Flash Point: 218.7 °C; (20)Enthalpy of Vaporization: 64.3 kJ/mol; (21)Boiling Point: 415.8 °C at 760 mmHg; (22)Vapour Pressure: 9.64E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: O=P(OCC)(OCC)CCCCP(=O)(OCC)OCC
2.InChI: InChI=1/C12H28O6P2/c1-5-15-19(13,16-6-2)11-9-10-12-20(14,17-7-3)18-8-4/h5-12H2,1-4H3
3.InChIKey: RODFSBORIZJBLE-UHFFFAOYAM