ChemSpider 2D Image | DIISOCETYL DODECANEDIOATE | C44H86O4

DIISOCETYL DODECANEDIOATE

  • Molecular FormulaC44H86O4
  • Average mass679.151 Da
  • Monoisotopic mass678.652588 Da
  • ChemSpider ID32698839

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

131252-83-0 [RN]
Bis(14-methylpentadecyl) dodecanedioate [ACD/IUPAC Name]
Bis(14-methylpentadecyl)-dodecandioat [German] [ACD/IUPAC Name]
DIISOCETYL DODECANEDIOATE
Dodécanedioate de bis(14-méthylpentadécyle) [French] [ACD/IUPAC Name]
Dodecanedioic acid, bis(14-methylpentadecyl) ester [ACD/Index Name]
1,12-BIS(14-METHYLPENTADECYL) DODECANEDIOATE

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1116DS0SNT [DBID]
UNII:1116DS0SNT [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 0.9±0.1 g/cm3
Boiling Point: 601.4±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.5±3.0 kJ/mol
Flash Point: 269.5±21.0 °C
Index of Refraction: 1.461
Molar Refractivity: 209.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 41
#Rule of 5 Violations: 2
ACD/LogP: 19.42
ACD/LogD (pH 5.5): 16.59
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 16.59
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 53 Å2
Polarizability: 83.0±0.5 10-24cm3
Surface Tension: 32.9±3.0 dyne/cm
Molar Volume: 762.5±3.0 cm3

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