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| CAS No.: | 683-19-2 |
|---|---|
| Name: | dioctylphosphinic acid |
| Molecular Structure: | |
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| Formula: | C16H35O2P |
| Molecular Weight: | 290.426 |
| Synonyms: | Phosphinicacid, dioctyl- (6CI,7CI,8CI,9CI);Di-n-octylphosphinic acid;Dioctylphosphinicacid;NSC 222467; |
| EINECS: | 211-671-6 |
| Density: | 0.924 g/cm3 |
| Boiling Point: | 445.7 °C at 760 mmHg |
| Flash Point: | 223.3 °C |
| PSA: | 47.11000 |
| LogP: | 5.97780 |
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Specification
The Phosphinic acid,P,P-dioctyl-, with the CAS registry number 683-19-2, is also known as Phosphinic acid, dioctyl-. Its EINECS registry number is 211-671-6. This chemical's molecular formula is C16H35O2P and molecular weight is 290.421661. What's more, both its IUPAC name and systematic name are the same which is called Dioctylphosphinic acid.
Physical properties about Phosphinic acid,P,P-dioctyl- are: (1) ACD/LogP: 7.06; (2) # of Rule of 5 Violations: 1; (3) ACD/LogD (pH 5.5): 5.01; (4) ACD/LogD (pH 7.4): 3.69; (5) ACD/BCF (pH 5.5): 1209.88; (6) ACD/BCF (pH 7.4): 57.81; (7) ACD/KOC (pH 5.5): 1463.57; (8) ACD/KOC (pH 7.4): 69.93; (9) #H bond acceptors: 2; (10) #H bond donors: 1; (11) #Freely Rotating Bonds: 14; (12) Polar Surface Area: 36.11 Å2; (13) Index of Refraction: 1.45; (14) Molar Refractivity: 84.58 cm3; (15) Molar Volume: 314.2 cm3; (16) Surface Tension: 33.7 dyne/cm; (17) Density: 0.924 g/cm3; (18) Flash Point: 223.3 °C; (19) Enthalpy of Vaporization: 77.14 kJ/mol; (20) Boiling Point: 445.7 °C at 760 mmHg; (21) Vapour Pressure: 3.46E-09 mmHg at 25 °C.
Preparation of Phosphinic acid,P,P-dioctyl-: this chemical can be prepared by Bromo-dioctyl-phosphine. This reaction needs reagent SO2Cl2 and solvent CHCl3. The yield is 62 %.
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Uses of Phosphinic acid,P,P-dioctyl-: it is used to produce other chemicals. For example, it is used to produce Dioctylphosphinicchloride. The reaction occurs with reagent PCl5 at temperature of 120 °C for 1 hour. The yield is 53.5 %.
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You can still convert the following datas into molecular structure:
(1) SMILES: O=P(O)(CCCCCCCC)CCCCCCCC
(2) InChI: InChI=1/C16H35O2P/c1-3-5-7-9-11-13-15-19(17,18)16-14-12-10-8-6-4-2/h3-16H2,1-2H3,(H,17,18)
(3) InChIKey: YTMRJBAHYSIRMZ-UHFFFAOYAO