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| CAS No.: | 1654-86-0 |
|---|---|
| Name: | N-CAPRIC ACID N-DECYL ESTER |
| Article Data: | 41 |
| Molecular Structure: | |
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| Formula: | C20H40O2 |
| Molecular Weight: | 312.536 |
| Synonyms: | 1-Decyldecanoate;Decyl caprate;Capryl caprate; |
| EINECS: | 216-729-4 |
| Density: | 0.863 g/cm3 |
| Melting Point: | 9.7°C |
| Boiling Point: | 362.388 °C at 760 mmHg |
| Flash Point: | 176.398 °C |
| PSA: | 26.30000 |
| LogP: | 6.81100 |
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Specification
The Decyl decanoate, with the CAS registry number 1654-86-0, is also known as Capryl caprate. Its EINECS number is 216-729-4. This chemical's molecular formula is C20H40O2 and molecular weight is 312.53. What's more, its systematic name is Decyl decanoate.
Physical properties of Decyl decanoate are: (1)ACD/LogP: 8.937; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 8.94; (4)ACD/LogD (pH 7.4): 8.94; (5)ACD/BCF (pH 5.5): 1000000.00; (6)ACD/BCF (pH 7.4): 1000000.00; (7)ACD/KOC (pH 5.5): 1732842.00; (8)ACD/KOC (pH 7.4): 1732842.00; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 18; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.446; (14)Molar Refractivity: 96.481 cm3; (15)Molar Volume: 362.153 cm3; (16)Polarizability: 38.248×10-24cm3; (17)Surface Tension: 30.7 dyne/cm; (18)Density: 0.863 g/cm3; (19)Flash Point: 176.398 °C; (20)Enthalpy of Vaporization: 60.833 kJ/mol; (21)Boiling Point: 362.388 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCCCCCCCCCC)CCCCCCCCC
(2)Std. InChI: InChI=1S/C20H40O2/c1-3-5-7-9-11-13-15-17-19-22-20(21)18-16-14-12-10-8-6-4-2/h3-19H2,1-2H3
(3)Std. InChIKey: XAKXZZPEUKNHMA-UHFFFAOYSA-N