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| CAS No.: | 925-06-4 |
|---|---|
| Name: | Diisobutyl succinate |
| Molecular Structure: | |
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| Formula: | C12H22O4 |
| Molecular Weight: | 230.304 |
| Synonyms: | Butanedioicacid, bis(2-methylpropyl) ester (9CI);Succinic acid, diisobutyl ester(7CI,8CI);Diisobutyl succinate; |
| EINECS: | 213-113-7 |
| Density: | 0.982 g/cm3 |
| Boiling Point: | 252.6 °C at 760 mmHg |
| Flash Point: | 109.8 °C |
| PSA: | 52.60000 |
| LogP: | 2.16500 |
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Specification
The Diisobutyl succinate, with the CAS registry number 925-06-4, is also known as Butanedioic acid, 1,4-bis(2-methylpropyl) ester. Its molecular formula is C12H22O4 and its EINECS registry number is 213-113-7. It's used in resins, plastics and additives manufacturing, but also for GC fixative. Moreover, it has the systematic name bis(2-methylpropyl) butanedioate.
Physical properties about Diisobutyl succinate are: (1)ACD/LogP: 3.02; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.02; (4)ACD/LogD (pH 7.4): 3.02; (5)ACD/BCF (pH 5.5): 115.81; (6)ACD/BCF (pH 7.4): 115.81; (7)ACD/KOC (pH 5.5): 1044.35; (8)ACD/KOC (pH 7.4): 1044.35; (9)#H bond acceptors: 4; (10)#Freely Rotating Bonds: 9; (11)Index of Refraction: 1.434; (12)Molar Refractivity: 61.11 cm3; (13)Molar Volume: 234.3 cm3; (14)Surface Tension: 31.1 dyne/cm; (15)Density: 0.982 g/cm3; (16)Flash Point: 109.8 °C; (17)Enthalpy of Vaporization: 49 kJ/mol; (18)Boiling Point: 252.6 °C at 760 mmHg; (19)Vapour Pressure: 0.0192 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(OCC(C)C)CCC(=O)OCC(C)C
2.InChI: InChI=1/C12H22O4/c1-9(2)7-15-11(13)5-6-12(14)16-8-10(3)4/h9-10H,5-8H2,1-4H3
3.InChIKey: QCOAPBRVQHMEPF-UHFFFAOYAG