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| CAS No.: | 84-71-9 |
|---|---|
| Name: | bis(2-ethylhexyl) cyclohexane-1,2-dicarboxylate |
| Molecular Structure: | |
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| Formula: | C24H44O4 |
| Molecular Weight: | 396.611 |
| Synonyms: | 1,2-Cyclohexanedicarboxylicacid, bis(2-ethylhexyl) ester (6CI,7CI,8CI,9CI);Bis(2-ethylhexyl) cyclohexane-1,2-dicarboxylate;Bis(2-ethylhexyl) hexahydrophthalate;Di(2-ethylhexyl) hexahydrophthalate;Diisooctyl 1,2-cyclohexanedicarboxylate;Dioctyl 1,2-cyclohexanedicarboxylate; |
| EINECS: | 201-554-8 |
| Density: | 0.959 g/cm3 |
| Boiling Point: | 463.9 °C at 760 mmHg |
| Flash Point: | 217.2 °C |
| PSA: | 52.60000 |
| LogP: | 6.31200 |
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Specification
The bis(2-ethylhexyl) cyclohexane-1,2-dicarboxylate, with the CAS registry number 84-71-9, is also known as Diisooctyl 1,2-cyclohexanedicarboxylate. Its EINECS number is 201-554-8. This chemical's molecular formula is C24H44O4 and molecular weight is 396.6. What's more, its systematic name is bis(2-ethylhexyl) cyclohexane-1,2-dicarboxylate.
Physical properties of bis(2-ethylhexyl) cyclohexane-1,2-dicarboxylate are: (1)ACD/LogP: 8.63; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 8.63; (4)ACD/LogD (pH 7.4): 8.63; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 1183678.13; (8)ACD/KOC (pH 7.4): 1183678.13; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 16; (12)Polar Surface Area: 52.6 Å2; (13)Index of Refraction: 1.465; (14)Molar Refractivity: 114.34 cm3; (15)Molar Volume: 413.5 cm3; (16)Polarizability: 45.33×10-24cm3; (17)Surface Tension: 34.8 dyne/cm; (18)Density: 0.959 g/cm3; (19)Flash Point: 217.2 °C; (20)Enthalpy of Vaporization: 72.52 kJ/mol; (21)Boiling Point: 463.9 °C at 760 mmHg; (22)Vapour Pressure: 8.75E-09 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC(CC)CCCC)C1C(C(=O)OCC(CC)CCCC)CCCC1
(2)InChI: InChI=1S/C24H44O4/c1-5-9-13-19(7-3)17-27-23(25)21-15-11-12-16-22(21)24(26)28-18-20(8-4)14-10-6-2/h19-22H,5-18H2,1-4H3
(3)InChIKey: DIMOQAGSNHTROK-UHFFFAOYSA-N