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CAS No.: | 2825-81-2 |
---|---|
Name: | methyl (2E)-hexadec-2-enoate |
Article Data: | 1 |
Molecular Structure: | |
Formula: | C17H32O2 |
Molecular Weight: | 268.44 |
Synonyms: | 2-Hexadecenoicacid, methyl ester, (E)- (8CI);Methyl trans-2-hexadecenoate; |
Density: | 0.876 g/cm3 |
Boiling Point: | 341.4 °C at 760 mmHg |
Flash Point: | 173.7 °C |
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The CAS register number of 2-Hexadecenoic acid,methyl ester, (2E)- is 2825-81-2. It also can be called as Methyl trans-2-hexadecenoate and the IUPAC name about this chemical is methyl (E)-hexadec-2-enoate. The molecular formula about this chemical is C17H32O2 and the molecular weight is 268.43988.
Physical properties about 2-Hexadecenoic acid,methyl ester, (2E)- are: (1)ACD/LogP: 7.69; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 2; (4)#Freely Rotating Bonds: 14; (5)Polar Surface Area: 26.3 Å2; (6)Index of Refraction: 1.452; (7)Molar Refractivity: 82.64 cm3; (8)Molar Volume: 306.2 cm3; (9)Polarizability: 32.76x10-24cm3; (10)Surface Tension: 30.6 dyne/cm; (11)Density: 0.876 g/cm3; (12)Flash Point: 173.7 °C; (13)Enthalpy of Vaporization: 58.51 kJ/mol; (14)Boiling Point: 341.4 °C at 760 mmHg; (15)Vapour Pressure: 8.04E-05 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)/C=C/CCCCCCCCCCCCC
(2)InChI: InChI=1/C17H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19-2/h15-16H,3-14H2,1-2H3/b16-15+
(3)InChIKey: ODPLFJYILBATKC-FOCLMDBBBZ
(4)Std. InChI: InChI=1S/C17H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19-2/h15-16H,3-14H2,1-2H3/b16-15+
(5)Std. InChIKey: ODPLFJYILBATKC-FOCLMDBBSA-N