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Maleic acid, diundecyl ester(8CI)

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  • Name Maleic acid, diundecyl ester(8CI)
  • EINECSN/A
  • CAS No. 6280-06-4
  • Density0.926 g/cm3
  • PSA52.60000
  • LogP7.69060
  • SolubilityN/A
  • Melting PointN/A
  • FormulaC26H48O4
  • Boiling Point497.2 °C at 760 mmHg
  • Molecular Weight424.66
  • Flash Point233.5 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 6280-06-4 (Maleic acid diundecyl ester)
  • Hazard SymbolsN/A
  • SynonymsN/A

Maleic acid, diundecyl ester(8CI) Specification

The Maleic acid, diundecyl ester(8CI), with the CAS registry number 6280-06-4, is also known as 1-(3-Aminopropyl)-3,5-dimethylpyrazole. This chemical's molecular formula is C26H48O4 and molecular weight is 424.66. What's more, its systematic name is diundecyl (2Z)-but-2-enedioate. 

Physical properties of Maleic acid, diundecyl ester(8CI) are: (1)ACD/LogP: 11.25; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 11.25; (4)ACD/LogD (pH 7.4): 11.25; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 10000000; (8)ACD/KOC (pH 7.4): 10000000; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 24; (12)Polar Surface Area: 52.6 Å2; (13)Index of Refraction: 1.462; (14)Molar Refractivity: 126.11 cm3; (15)Molar Volume: 458.2 cm3; (16)Polarizability: 49.99×10-24cm3; (17)Surface Tension: 33.5 dyne/cm; (18)Density: 0.926 g/cm3; (19)Flash Point: 233.5 °C; (20)Enthalpy of Vaporization: 76.51 kJ/mol; (21)Boiling Point: 497.2 °C at 760 mmHg; (22)Vapour Pressure: 5.06E-10 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCCCCCCCCCCC)\C=C/C(=O)OCCCCCCCCCCC
(2)InChI: InChI=1S/C26H48O4/c1-3-5-7-9-11-13-15-17-19-23-29-25(27)21-22-26(28)30-24-20-18-16-14-12-10-8-6-4-2/h21-22H,3-20,23-24H2,1-2H3/b22-21-
(3)InChIKey: FBVIPHHSIBKNAH-DQRAZIAOSA-N

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