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| CAS No.: | 26544-17-2 |
|---|---|
| Name: | Diisooctyl azelaate |
| Molecular Structure: | |
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| Formula: | C25H48O4 |
| Molecular Weight: | 412.65 |
| Synonyms: | Azelaicacid, diisooctyl ester (6CI,7CI,8CI);Nonanedioic acid, diisooctyl ester (9CI);Isooctyl alcohol, azelaate (2:1) (8CI);Isooctyl alcohol, azelate (2:1) (8CI);Diisooctyl azelate;Reomol DiOZ; |
| EINECS: | 247-774-8 |
| Density: | 0.919 g/cm3 |
| Melting Point: | 55-65 °C |
| Boiling Point: | 411.6 °C at 760 mmHg |
| Flash Point: | 184.6 °C |
| PSA: | 52.60000 |
| LogP: | 7.23630 |
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Specification
The Diisooctyl azelaate with the cas number 26544-17-2 is also called Nonanedioic acid,1,9-diisooctyl ester. Both the systematic name and IUPAC name are bis(6-methylheptyl) nonanedioate. Its EINECS registry number is 247-774-8. The molecular formula is C25H48O4. This chemical is a kind of organics. It should be stored in dry and cool environment.
The properties of the chemical are: (1)ACD/LogP: 9.33; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 9.33; (4)ACD/LogD (pH 7.4): 9.33; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 2821499.5; (8)ACD/KOC (pH 7.4): 2821499.5; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 22; (12)Polar Surface Area: 52.6 Å2; (13)Index of Refraction: 1.452; (14)Molar Refractivity: 121.33 cm3; (15)Molar Volume: 448.9 cm3; (16)Polarizability: 48.1×10-24cm3; (17)Surface Tension: 32.3 dyne/cm; (18)Enthalpy of Vaporization: 66.41 kJ/mol; (19)Vapour Pressure: 5.51×10-7 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCCCCCC(C)C)CCCCCCCC(=O)OCCCCCC(C)C
(2)InChI: InChI=1/C25H48O4/c1-22(2)16-10-8-14-20-28-24(26)18-12-6-5-7-13-19-25(27)29-21-15-9-11-17-23(3)4/h22-23H,5-21H2,1-4H3
(3)InChIKey: CYNJQGPDCDNZBL-UHFFFAOYAU