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Isohexadecyl acrylate

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  • Name Isohexadecyl acrylate
  • EINECS299-017-6
  • CAS No. 93841-47-5
  • Density0.869 g/cm3
  • PSA26.30000
  • LogP6.05280
  • SolubilityN/A
  • Melting PointN/A
  • FormulaC19H36O2
  • Boiling Point366.519 °C at 760 mmHg
  • Molecular Weight296.48794
  • Flash Point137.818 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 93841-47-5 (Isohexadecyl acrylate)
  • Hazard SymbolsN/A
  • SynonymsN/A

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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