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| CAS No.: | 20332-12-1 |
|---|---|
| Name: | 1H-Isoindole-1,3(2H)-dione, 2-octadecyl- |
| Article Data: | 9 |
| Molecular Structure: | |
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| Formula: | C26H41NO2 |
| Molecular Weight: | 399.617 |
| Synonyms: | 2-Octadecyl-1H-isoindole-1,3(2H)-dione; |
| Density: | 0.988 g/cm3 |
| Melting Point: | 80-81 °C |
| Boiling Point: | 502 °C at 760 mmHg |
| Flash Point: | 180.8 °C |
| PSA: | 37.38000 |
| LogP: | 7.48200 |
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Specification
The 1H-Isoindole-1,3(2H)-dione,2-octadecyl-, with the CAS registry number 20332-12-1, is also known as 2-Octadecyl-1H-isoindole-1,3(2H)-dione. This chemical's molecular formula is C26H41NO2 and molecular weight is 399.61. What's more, its IUPAC name is 2-octadecylisoindole-1,3-dione. Its classification code is TSCA Flag P [A commenced PMN (Premanufacture Notice) substance].
Physical properties of 1H-Isoindole-1,3(2H)-dione,2-octadecyl- are: (1)ACD/LogP: 10.59; (2)# of Rule of 5 Violations: 1 ; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 17; (6)Polar Surface Area: 37.38 Å2; (7)Index of Refraction: 1.51; (8)Molar Refractivity: 121.09 cm3; (9)Molar Volume: 404.2 cm3; (10)Polarizability: 48×10-24cm3; (11)Surface Tension: 39 dyne/cm; (12)Density: 0.988 g/cm3; (13)Flash Point: 180.8 °C; (14)Enthalpy of Vaporization: 77.09 kJ/mol; (15)Boiling Point: 502 °C at 760 mmHg; (16)Vapour Pressure: 3.31E-10 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C2c1ccccc1C(=O)N2CCCCCCCCCCCCCCCCCC
(2)Std. InChI: InChI=1S/C26H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-27-25(28)23-20-17-18-21-24(23)26(27)29/h17-18,20-21H,2-16,19,22H2,1H3
(3)Std. InChIKey: BCZUGMNWRQGHFP-UHFFFAOYSA-N