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135251-95-5

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Basic Information
CAS No.: 135251-95-5
Name: (E)-2-Hexadecenoic Acid Ethyl Ester
Article Data: 10
Molecular Structure:
Molecular Structure of 135251-95-5 ((E)-2-Hexadecenoic Acid Ethyl Ester)
Formula: C18H34O2
Molecular Weight: 282.46
Synonyms: 2-Hexadecenoic acid, ethyl ester, (E)-;Ethyl (2E)-2-hexadecenoate;
Density: 0.875 g/cm3
Boiling Point: 357.229 °C at 760 mmHg
Flash Point: 183.292 °C
PSA: 26.30000
LogP: 5.80680
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Specification

The (E)-2-Hexadecenoic acid ethyl ester, with the CAS registry number 135251-95-5, is also known as 2-Hexadecenoic acid, ethyl ester, (E)-. This chemical's molecular formula is C18H34O2 and molecular weight is 282.46. What's more, its systematic name is Ethyl (2E)-2-hexadecenoate.

Physical properties of (E)-2-Hexadecenoic acid ethyl ester are: (1)ACD/LogP: 8.224; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 8.22; (4)ACD/LogD (pH 7.4): 8.22; (5)ACD/BCF (pH 5.5): 1000000.00; (6)ACD/BCF (pH 7.4): 1000000.00; (7)ACD/KOC (pH 5.5): 709318.10; (8)ACD/KOC (pH 7.4): 709318.10; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 15; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.453; (14)Molar Refractivity: 87.273 cm3; (15)Molar Volume: 322.754 cm3; (16)Polarizability: 34.598×10-24cm3; (17)Surface Tension: 30.8 dyne/cm; (18)Density: 0.875 g/cm3; (19)Flash Point: 183.292 °C; (20)Enthalpy of Vaporization: 60.258 kJ/mol; (21)Boiling Point: 357.229 °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(OCC)/C=C/CCCCCCCCCCCCC
(2)Std. InChI: InChI=1S/C18H34O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20-4-2/h16-17H,3-15H2,1-2H3/b17-16+
(3)Std. InChIKey: WKKVQOAYYIWUKZ-WUKNDPDISA-N