ChemSpider 2D Image | 1,12-Diheptyl 2,5,8,11-tetraoxadodecanedioate | C22H42O8

1,12-Diheptyl 2,5,8,11-tetraoxadodecanedioate

  • Molecular FormulaC22H42O8
  • Average mass434.564 Da
  • Monoisotopic mass434.287964 Da
  • ChemSpider ID21163888

More details:

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

1,12-Diheptyl 2,5,8,11-tetraoxadodecanedioate
1,2-Ethandiylbis(oxy-2,1-ethandiyl)-diheptylbiscarbonat [German] [ACD/IUPAC Name]
1,2-Ethanediylbis(oxy-2,1-ethanediyl) diheptyl biscarbonate [ACD/IUPAC Name]
281-630-5 [EINECS]
84000-73-7 [RN]
Biscarbonate de 1,2-éthanediylbis(oxy-2,1-éthanediyle) et de diheptyle [French] [ACD/IUPAC Name]
Carbonic acid, 1,2-ethanediylbis(oxy-2,1-ethanediyl) diheptyl ester [ACD/Index Name]
1-[({2-[2-(2-{[(HEPTYLOXY)CARBONYL]OXY}ETHOXY)ETHOXY]ETHOXY}CARBONYL)OXY]HEPTANE
diheptyl 2,5,8,11-tetraoxadodecanedioate
Diheptyl2,5,8,11-tetraoxadodecanedioate

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

Density: 1.0±0.1 g/cm3
Boiling Point: 496.5±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.4±3.0 kJ/mol
Flash Point: 209.0±23.2 °C
Index of Refraction: 1.452
Molar Refractivity: 114.5±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 25
#Rule of 5 Violations: 1
ACD/LogP: 6.41
ACD/LogD (pH 5.5): 6.61
ACD/BCF (pH 5.5): 62338.30
ACD/KOC (pH 5.5): 94116.70
ACD/LogD (pH 7.4): 6.61
ACD/BCF (pH 7.4): 62338.30
ACD/KOC (pH 7.4): 94116.70
Polar Surface Area: 90 Å2
Polarizability: 45.4±0.5 10-24cm3
Surface Tension: 35.5±3.0 dyne/cm
Molar Volume: 424.1±3.0 cm3

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