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| CAS No.: | 68002-88-0 |
|---|---|
| Name: | Fatty acids, C16-22 |
| Molecular Structure: | |
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| Formula: | C19H38O2 |
| Molecular Weight: | 298.5038 |
| Synonyms: | C16-22fatty acids;Humko Type 9718;Hystrene 9022;Long-chain fatty acids, C16-22; |
| EINECS: | 268-103-5 |
| Density: | 0.886 g/cm3 |
| Boiling Point: | 368.1 °C at 760 mmHg |
| Flash Point: | 166.1 °C |
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Specification
The CAS register number of Fatty acids, C16-22 is 68002-88-0. It also can be called as C16-22fatty acids and the systematic name about this chemical is nonadecanoic acid. The molecular formula about this chemical is C19H38O2 and the molecular weight is 298.5038.
Physical properties about Fatty acids, C16-22 are: (1)ACD/LogP: 8.75; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.95; (4)ACD/LogD (pH 7.4): 6.16; (5)ACD/BCF (pH 5.5): 418804.34; (6)ACD/BCF (pH 7.4): 6718.67; (7)ACD/KOC (pH 5.5): 218542.88; (8)ACD/KOC (pH 7.4): 3505.98; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 17; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.456; (14)Molar Refractivity: 91.63 cm3; (15)Molar Volume: 336.7 cm3; (16)Polarizability: 36.32x10-24cm3; (17)Surface Tension: 33.4 dyne/cm; (18)Density: 0.886 g/cm3; (19)Flash Point: 166.1 °C; (20)Enthalpy of Vaporization: 64.86 kJ/mol; (21)Boiling Point: 368.1 °C at 760 mmHg; (22)Vapour Pressure: 4.54E-06 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)CCCCCCCCCCCCCCCCCC
(2)InChI: InChI=1/C19H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21/h2-18H2,1H3,(H,20,21)
(3)InChIKey: ISYWECDDZWTKFF-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C19H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21/h2-18H2,1H3,(H,20,21)(5)Std. InChIKey: ISYWECDDZWTKFF-UHFFFAOYSA-N