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2665-11-4

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Basic Information
CAS No.: 2665-11-4
Name: BORIC ACID TRI-N-HEXADECYL ESTER
Molecular Structure:
Molecular Structure of 2665-11-4 (BORIC ACID TRI-N-HEXADECYL ESTER)
Formula: C48H99BO3
Molecular Weight: 735.123
Synonyms: Boric acid(H3BO3), trihexadecyl ester (8CI);Hexadecyl borate ((C16H33O)3B) (6CI,7CI);Boric acid trihexadecyl ester;NSC 158140;Tricetyl borate;Trihexadecylborate;Tris(n-hexadecyl) borate;
Density: 0.852 g/cm3
Boiling Point: 620.9 °C at 760 mmHg
Flash Point: 298.4 °C
PSA: 27.69000
LogP: 17.46500
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Specification

This chemical is called Trihexadecyl borate, and its CAS registry number is 2665-11-4. With the molecular formula of C48H99BO3, its product categories are B (Classes of Boron Compounds); Boric Acid Esters; Boric Acid Triesters. In addition, this chemical should be sealed in the cool and dry plcace.

Other characteristics of the Trihexadecyl borate can be summarised as followings: (1)ACD/LogP: 25.36; (2)# of Rule of 5 Violations: 2; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 48; (6)Polar Surface Area: 27.69 Å2; (7)Index of Refraction: 1.453; (8)Molar Refractivity: 233.09 cm3; (9)Molar Volume: 861.8 cm3; (10)Polarizability: 92.4×10-24cm3; (11)Surface Tension: 31.2 dyne/cm; (12)Density: 0.852 g/cm3; (13)Flash Point: 298.4 °C; (14)Enthalpy of Vaporization: 88.64 kJ/mol; (15)Boiling Point: 620.9 °C at 760 mmHg; (16)Vapour Pressure: 1.14E-14 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O(B(OCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCC
2.InChI: InChI=1/C48H99BO3/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-50-49(51-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)52-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h4-48H2,1-3H3
3.InChIKey: WZGVRXXJKGXOBR-UHFFFAOYAW