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| CAS No.: | 71140-70-0 |
|---|---|
| Name: | 4-Carboxybutyldiphenylphosphine oxide |
| Molecular Structure: | |
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| Formula: | C17H19O3P |
| Molecular Weight: | 302.31 |
| Synonyms: | Diphenylphosphine Acid; |
| Density: | 1.19 g/cm3 |
| Boiling Point: | 462.7 °C at 760 mmHg |
| Flash Point: | 233.7 °C |
| PSA: | 64.18000 |
| LogP: | 3.25540 |
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Specification
The 4-Carboxybutyldiphenylphosphine oxide, with the CAS registry number of 71140-70-0, is also known as Diphenylphosphine Acid. Its molecular formula is C17H19O3P and molecular weight is 302.3047. What's more, its systematic name is 5-(Diphenylphosphoryl)pentanoic acid.
Physical properties about the 4-Carboxybutyldiphenylphosphine oxide are: (1)ACD/LogP: 2.07; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.21; (4)ACD/LogD (pH 7.4): -0.59; (5)ACD/BCF (pH 5.5): 3.03; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 43.82; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 53.18 Å2; (13)Index of Refraction: 1.571; (14)Molar Refractivity: 83 cm3; (15)Molar Volume: 252.4 cm3; (16)Surface Tension: 49.9 dyne/cm; (17)Density: 1.19 g/cm3; (18)Flash Point: 233.7 °C; (19)Enthalpy of Vaporization: 76.27 kJ/mol; (20)Boiling Point: 462.7 °C at 760 mmHg; (21)Vapour Pressure: 2.32E-09 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=P(c1ccccc1)(c2ccccc2)CCCCC(=O)O
(2) InChI: InChI=1/C17H19O3P/c18-17(19)13-7-8-14-21(20,15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-6,9-12H,7-8,13-14H2,(H,18,19)
(3) InChIKey: KIGXMYYGQYMICF-UHFFFAOYAJ