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61820-17-5

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Basic Information
CAS No.: 61820-17-5
Name: DIMETHYLPHOSPHINIC ACID ISOBUTYL ESTER
Molecular Structure:
Molecular Structure of 61820-17-5 (DIMETHYLPHOSPHINIC ACID ISOBUTYL ESTER)
Formula: C6H15O2P
Molecular Weight: 150.16
Synonyms: DIMETHYLPHOSPHINIC ACID ISOBUTYL ESTER
Density: 0.947 g/cm3
Boiling Point: 170.4 °C at 760 mmHg
Flash Point: 71.2 °C
PSA: 36.11000
LogP: 2.19670
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Specification

This chemical is called 1-Dimethylphosphoryloxy-2-methyl-propane, and its systematic name is 2-methylpropyl dimethylphosphinate. With the molecular formula of C6H15O2P, its molecular weight is 150.16. The CAS registry number of this chemical is 61820-17-5.

Other characteristics of the 1-Dimethylphosphoryloxy-2-methyl-propane can be summarised as followings: (1)ACD/LogP: 0.38; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.38; (4)ACD/LogD (pH 7.4): 0.38; (5)ACD/BCF (pH 5.5): 1.15; (6)ACD/BCF (pH 7.4): 1.15; (7)ACD/KOC (pH 5.5): 38.5; (8)ACD/KOC (pH 7.4): 38.5; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 36.11 Å2; (13)Index of Refraction: 1.4; (14)Molar Refractivity: 38.42 cm3; (15)Molar Volume: 158.4 cm3; (16)Polarizability: 15.23×10-24cm3; (17)Surface Tension: 26.6 dyne/cm; (18)Density: 0.947 g/cm3; (19)Flash Point: 71.2 °C; (20)Enthalpy of Vaporization: 39.01 kJ/mol; (21)Boiling Point: 170.4 °C at 760 mmHg; (22)Vapour Pressure: 1.95 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: O=P(OCC(C)C)(C)C
2.InChI: InChI=1/C6H15O2P/c1-6(2)5-8-9(3,4)7/h6H,5H2,1-4H3
3.InChIKey: XAZJFCQCYNQNBH-UHFFFAOYAJ