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CAS No.: | 42218-29-1 |
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Name: | decyl docosanoate |
Molecular Structure: | |
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 |
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