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| CAS No.: | 929-79-3 |
|---|---|
| Name: | 2t-Hexadecenoic acid |
| Article Data: | 14 |
| Molecular Structure: | |
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| Formula: | C16H30O2 |
| Molecular Weight: | 254.413 |
| Synonyms: | trans-2-Hexadecenoic acid;2-Hexadecenoicacid, (E)- (8CI); |
| Density: | 0.906 g/cm3 |
| Boiling Point: | 373.684 °C at 760 mmHg |
| Flash Point: | 273.444 °C |
| PSA: | 37.30000 |
| LogP: | 5.32830 |
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Specification
The (E)-2-Hexadecenoic acid, with the CAS registry number 929-79-3, is also known as trans-2-Hexadecenoic acid. This chemical's molecular formula is C16H30O2 and molecular weight is 254.41. What's more, its systematic name is (2E)-2-Hexadecenoic acid.
Physical properties of (E)-2-Hexadecenoic acid are: (1)ACD/LogP: 6.772; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.98; (4)ACD/LogD (pH 7.4): 4.19; (5)ACD/BCF (pH 5.5): 13371.74; (6)ACD/BCF (pH 7.4): 214.83; (7)ACD/KOC (pH 5.5): 18641.67; (8)ACD/KOC (pH 7.4): 299.49; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 13; (12)Polar Surface Area: 37.3 Å2; (13)Index of Refraction: 1.466; (14)Molar Refractivity: 77.797 cm3; (15)Molar Volume: 280.884 cm3; (16)Polarizability: 30.841×10-24cm3; (17)Surface Tension: 33.9 dyne/cm; (18)Density: 0.906 g/cm3; (19)Flash Point: 273.444 °C; (20)Enthalpy of Vaporization: 68.191 kJ/mol; (21)Boiling Point: 373.684 °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(O)/C=C/CCCCCCCCCCCCC
(2)Std. InChI: InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h14-15H,2-13H2,1H3,(H,17,18)/b15-14+
(3)Std. InChIKey: ZVRMGCSSSYZGSM-CCEZHUSRSA-N