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Hexadecanoic acid,15-methyl-, methyl ester

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Name

Hexadecanoic acid,15-methyl-, methyl ester

EINECS
CAS No. 6929-04-0 Density 0.863 g/cm3
Solubility Melting Point
Formula C18H36O2 Boiling Point 326.5 °C at 760 mmHg
Molecular Weight 284.48 Flash Point 153.2 °C
Transport Information Appearance
Safety Risk Codes
Molecular Structure Molecular Structure of 6929-04-0 (Hexadecanoic acid,15-methyl-, methyl ester) Hazard Symbols
Synonyms

15-Methylhexadecanoicacid methyl ester;Methyl 15-methylhexadecanoate;Methyl isoheptadecanoate;

 

Hexadecanoic acid,15-methyl-, methyl ester Specification

The Hexadecanoic acid,15-methyl-, methyl ester, with the CAS registry number 6929-04-0, is also known as Methyl isoheptadecanoate. This chemical's molecular formula is C18H36O2 and molecular weight is 284.48. What's more, its systematic name is Methyl 15-methylhexadecanoate. It should be stored in 2-8 °C.

Physical properties about Hexadecanoic acid,15-methyl-, methyl ester are: (1)ACD/LogP: 7.96; (2)#of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.96; (4)ACD/LogD (pH 7.4): 7.96; (5)ACD/BCF (pH 5.5): 663894; (6)ACD/BCF (pH 7.4): 663894; (7)ACD/KOC (pH 5.5): 511715.69; (8)ACD/KOC (pH 7.4): 511715.69; (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: 1.441; (14)Molar Refractivity: 87.17 cm3; (15)Molar Volume: 329.5 cm3; (16)Polarizability: 34.55×10-24 cm3; (17)Surface Tension: 29.8 dyne/cm; (18)Density: 0.863 g/cm3; (19)Flash Point: 153.2 °C; (20)Enthalpy of Vaporization: 56.87 kJ/mol; (21)Boiling Point: 326.5 °C at 760 mmHg; (22)Vapour Pressure: 0.000215 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)CCCCCCCCCCCCCC(C)C
(2)InChI: InChI=1/C18H36O2/c1-17(2)15-13-11-9-7-5-4-6-8-10-12-14-16-18(19)20-3/h17H,4-16H2,1-3H3
(3)InChIKey: BNHKXOIJKIMOJH-UHFFFAOYAO

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