DIETHYL 1-DECYLPHOSPHONATE

The Phosphonic acid,P-decyl-, diethyl ester is an organic compound with the formula C₁₄H₃₁O₃P. The systematic name of this chemical is Diethyl decylphosphonate. With the CAS registry number 16165-68-7, it is also named as 1-Decylphosphonic acid diethyl ester. Besides, it should be stored in a sealed, dry, well-ventilated, lightproof place.

Physical properties about Phosphonic acid,P-decyl-, diethyl ester are: (1)ACD/LogP: 5.07; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.07; (4)ACD/LogD (pH 7.4): 5.07; (5)ACD/BCF (pH 5.5): 4183.57; (6)ACD/BCF (pH 7.4): 4183.57; (7)ACD/KOC (pH 5.5): 13611.21; (8)ACD/KOC (pH 7.4): 13611.21; (9)#H bond acceptors: 3; (10)#Freely Rotating Bonds: 13; (11)Polar Surface Area: 45.34 Å²; (12)Index of Refraction: 1.434; (13)Molar Refractivity: 77.27 cm³; (14)Molar Volume: 296.5 cm³; (15)Polarizability: 30.63×10^-24 cm³; (16)Surface Tension: 31.1 dyne/cm; (17)Density: 0.938 g/cm³; (18)Flash Point: 178.7 °C; (19)Enthalpy of Vaporization: 57.03 kJ/mol; (20)Boiling Point: 349.3 °C at 760 mmHg; (21)Vapour Pressure: 9.59E-05 mmHg at 25 °C.

Uses of Phosphonic acid,P-decyl-, diethyl ester: it can be used to produce Decyl-phosphonic acid at temperature of 70//20 °C. It will need reagents BBr₃; MeOH and solvents toluene; hexane with reaction time of 6 hours. The yield is about 82%.

When you are using this chemical, please be cautious about it as the following:
When you are using it, avoid contact with skin and eyes.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C14H31O3P/c1-4-7-8-9-10-11-12-13-14-18(15,16-5-2)17-6-3/h4-14H2,1-3H3
(2)InChIKey: HYQXIVAZQBYBAF-UHFFFAOYAE
(3)Std. InChI: InChI=1S/C14H31O3P/c1-4-7-8-9-10-11-12-13-14-18(15,16-5-2)17-6-3/h4-14H2,1-3H3
(4)Std. InChIKey: HYQXIVAZQBYBAF-UHFFFAOYSA-N