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| CAS No.: | 66009-41-4 |
|---|---|
| Name: | octadecyl heptanoate |
| Molecular Structure: | |
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| Formula: | C25H50O2 |
| Molecular Weight: | 382.671 |
| Synonyms: | Stearylheptanoate;Tegosoft SH;Octadecyl heptanoate; |
| EINECS: | 266-065-4 |
| Density: | 0.86 g/cm3 |
| Boiling Point: | 426.6 °C at 760 mmHg |
| Flash Point: | 217.8 °C |
| PSA: | 26.30000 |
| LogP: | 8.76150 |
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| Conditions | Yield |
|---|---|
| With toluene |
- Total:25 Page 1 of 1 1
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Specification
The Heptanoic acid,octadecyl ester, with the CAS registry number 66009-41-4, is also known as Octadecyl heptanoate. Its EINECS registry number is 266-065-4. This chemical's molecular formula is C25H50O2 and molecular weight is 382.6633. What's more, its systematic name is Octadecyl heptanoate.
Physical properties about Heptanoic acid,octadecyl ester are: (1)ACD/LogP: 11.87; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 11.87; (4)ACD/LogD (pH 7.4): 11.87; (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: 23; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.45; (14)Molar Refractivity: 119.64 cm3; (15)Molar Volume: 444.6 cm3; (16)Polarizability: 47.43×10-24 cm3; (17)Surface Tension: 31.2 dyne/cm; (18)Density: 0.86 g/cm3; (19)Flash Point: 217.8 °C; (20)Enthalpy of Vaporization: 68.14 kJ/mol; (21)Boiling Point: 426.6 °C at 760 mmHg; (22)Vapour Pressure: 1.75E-07 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCCCCCCCCCCCCCCCCCC)CCCCCC
(2)InChI: InChI=1/C25H50O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-22-24-27-25(26)23-21-8-6-4-2/h3-24H2,1-2H3
(3)InChIKey: ABTZKZVAJTXGNN-UHFFFAOYAH