ChemSpider 2D Image | 3,6,9,12,15,18,21,24-Octaoxahexacosane-1,26-diyl bis(phenylacetate) | C34H50O12

3,6,9,12,15,18,21,24-Octaoxahexacosane-1,26-diyl bis(phenylacetate)

  • Molecular FormulaC34H50O12
  • Average mass650.754 Da
  • Monoisotopic mass650.330200 Da
  • ChemSpider ID321316

More details:

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

28-Oxo-29-phenyl-3,6,9,12,15,18,21,24,27-nonaoxanonacos-1-yl phenylacetate
3,6,9,12,15,18,21,24-Octaoxahexacosan-1,26-diyl-bis(phenylacetat) [German] [ACD/IUPAC Name]
3,6,9,12,15,18,21,24-Octaoxahexacosane-1,26-diyl bis(phenylacetate) [ACD/IUPAC Name]
Benzeneacetic acid, 3,6,9,12,15,18,21,24-octaoxahexacosane-1,26-diyl ester [ACD/Index Name]
Bis(phénylacétate) de 3,6,9,12,15,18,21,24-octaoxahexacosane-1,26-diyle [French] [ACD/IUPAC Name]

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

AIDS132119 [DBID]
AIDS-132119 [DBID]
NSC625452 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 682.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.1±3.0 kJ/mol
Flash Point: 277.0±30.2 °C
Index of Refraction: 1.509
Molar Refractivity: 170.5±0.3 cm3
#H bond acceptors: 12
#H bond donors: 0
#Freely Rotating Bonds: 33
#Rule of 5 Violations: 2
ACD/LogP: 0.99
ACD/LogD (pH 5.5): 2.28
ACD/BCF (pH 5.5): 31.80
ACD/KOC (pH 5.5): 414.01
ACD/LogD (pH 7.4): 2.28
ACD/BCF (pH 7.4): 31.80
ACD/KOC (pH 7.4): 414.01
Polar Surface Area: 126 Å2
Polarizability: 67.6±0.5 10-24cm3
Surface Tension: 42.6±3.0 dyne/cm
Molar Volume: 571.0±3.0 cm3

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