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Isohexadecyl acrylate

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Name

Isohexadecyl acrylate

EINECS 299-017-6
CAS No. 93841-47-5 Density 0.869 g/cm3
PSA 26.30000 LogP 6.05280
Solubility N/A Melting Point N/A
Formula C19H36O2 Boiling Point 366.519 °C at 760 mmHg
Molecular Weight 296.48794 Flash Point 137.818 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 93841-47-5 (Isohexadecyl acrylate) Hazard Symbols N/A
Synonyms

14-Methylpentadecyl prop-2-enoate;

 

Isohexadecyl acrylate Specification

The Isohexadecyl acrylate has CAS registry number 93841-47-5. Its EINECS registry number is 299-017-6. This chemical's molecular formula is C19H36O2 and molecular weight is 296.48794. What's more, its IUPAC name is 14-Methylpentadecyl prop-2-enoate.

Physical properties about Isohexadecyl acrylate are: (1)ACD/LogP: 8.28; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 9; (4)ACD/LogD (pH 7.4): 9; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 1107435; (8)ACD/KOC (pH 7.4): 1107435; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 16; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.449; (14)Molar Refractivity: 91.532 cm3; (15)Molar Volume: 341.116 cm3; (16)Polarizability: 36.286×10-24 cm3; (17)Surface Tension: 30.128 dyne/cm; (18)Density: 0.869 g/cm3; (19)Flash Point: 137.818 °C; (20)Enthalpy of Vaporization: 61.294 kJ/mol; (21)Boiling Point: 366.519 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: CC(C)CCCCCCCCCCCCCOC(=O)C=C
(2) InChI: InChI=1/C19H36O2/c1-4-19(20)21-17-15-13-11-9-7-5-6-8-10-12-14-16-18(2)3/h4,18H,1,5-17H2,2-3H3
(3) InChIKey: BORYKGCSYGMNTB-UHFFFAOYAG

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