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42218-29-1

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Basic Information
CAS No.: 42218-29-1
Name: decyl docosanoate
Molecular Structure:
Molecular Structure of 42218-29-1 (decyl docosanoate)
Formula: C32H64O2
Molecular Weight: 480.859
Synonyms: Decylbehenate;
EINECS: 255-711-0
Density: 0.858 g/cm3
Boiling Point: 507 °C at 760 mmHg
Flash Point: 269.7 °C
PSA: 26.30000
LogP: 11.49220
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    Docosanoic acid, decylester

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    hight degree of purity Application:Fine chemical intermediates, used as the main raw material for he synthesis of various pesticides, medicines, surfactants, polymer monomers, Ond Ontifungal agents

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Specification

This chemical is called Docosanoic acid, decylester, and its IUPAC name is decyl docosanoate. With the molecular formula of C32H64O2, its molecular weight is 480.85. The CAS registry number of this chemical is 42218-29-1.

Other characteristics of the Docosanoic acid, decylester can be summarised as followings: (1)ACD/LogP: 15.59; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 15.59; (4)ACD/LogD (pH 7.4): 15.59; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 10000000; (8)ACD/KOC (pH 7.4): 10000000; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 30; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.455; (14)Molar Refractivity: 152.07 cm3; (15)Molar Volume: 560.2 cm3; (16)Polarizability: 60.28×10-24cm3; (17)Surface Tension: 31.7 dyne/cm; (18)Density: 0.858 g/cm3; (19)Flash Point: 269.7 °C; (20)Enthalpy of Vaporization: 77.7 kJ/mol; (21)Boiling Point: 507 °C at 760 mmHg; (22)Vapour Pressure: 2.12E-10 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: O=C(OCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCC
2.InChI: InChI=1/C32H64O2/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-23-24-26-28-30-32(33)34-31-29-27-25-12-10-8-6-4-2/h3-31H2,1-2H3 3.InChIKey: KSCAZGPKPGSMTR-UHFFFAOYAU