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Isooctadecanoic acid,methyl ester

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Name

Isooctadecanoic acid,methyl ester

EINECS N/A
CAS No. 68517-10-2 Density 0.862 g/cm3
PSA N/A LogP N/A
Solubility N/A Melting Point N/A
Formula C19H38O2 Boiling Point 340.7 °C at 760 mmHg
Molecular Weight 298.50 Flash Point 162.2 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 68517-10-2 (Isooctadecanoic acid, methyl ester) Hazard Symbols N/A
Synonyms

Methylisostearate;

 

Isooctadecanoic acid,methyl ester Specification

The CAS registry number of Isooctadecanoic acid,methyl ester is 68517-10-2. The systematic name is methyl 16-methylheptadecanoate. In addition, the molecular formula is C19H38O2 and the molecular weight is 298.50. It is also called methyl isostearate. What's more, it should be stored in a cool and dry place.

Physical properties about Isooctadecanoic acid,methyl ester are: (1)ACD/LogP: 8.50; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 8.49; (4)ACD/LogD (pH 7.4): 8.49; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 995595.94; (8)ACD/KOC (pH 7.4): 995595.94; (9)#H bond acceptors: 2; (10)#Freely Rotating Bonds: 16; (11)Polar Surface Area: 26.3 Å2; (12)Index of Refraction: 1.443; (13)Molar Refractivity: 91.8 cm3; (14)Molar Volume: 346 cm3; (15)Polarizability: 36.39 ×10-24cm3; (16)Surface Tension: 30 dyne/cm; (17)Density: 0.862 g/cm3; (18)Flash Point: 162.2 °C; (19)Enthalpy of Vaporization: 58.43 kJ/mol; (20)Boiling Point: 340.7 °C at 760 mmHg; (21)Vapour Pressure: 8.44E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)CCCCCCCCCCCCCCC(C)C
(2)InChI: InChI=1/C19H38O2/c1-18(2)16-14-12-10-8-6-4-5-7-9-11-13-15-17-19(20)21-3/h18H,4-17H2,1-3H3
(3)InChIKey: KDQIFKKWPMBNOH-UHFFFAOYAB

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