ChemSpider 2D Image | 1,4,7,10,13,16-Hexaoxacyclooctadecan-2-ylmethyl 6-phenylhexanoate | C25H40O8

1,4,7,10,13,16-Hexaoxacyclooctadecan-2-ylmethyl 6-phenylhexanoate

  • Molecular FormulaC25H40O8
  • Average mass468.580 Da
  • Monoisotopic mass468.272308 Da
  • ChemSpider ID76726375

More details:

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

1,4,7,10,13,16-Hexaoxacyclooctadecan-2-ylmethyl 6-phenylhexanoate [ACD/IUPAC Name]
1,4,7,10,13,16-Hexaoxacyclooctadecan-2-ylmethyl-6-phenylhexanoat [German] [ACD/IUPAC Name]
6-Phénylhexanoate de 1,4,7,10,13,16-hexaoxacyclooctadécan-2-ylméthyle [French] [ACD/IUPAC Name]
Benzenehexanoic acid, 1,4,7,10,13,16-hexaoxacyclooctadec-2-ylmethyl ester [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 602.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.6±3.0 kJ/mol
Flash Point: 255.0±31.5 °C
Index of Refraction: 1.462
Molar Refractivity: 123.7±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 2.83
ACD/LogD (pH 5.5): 2.52
ACD/BCF (pH 5.5): 48.34
ACD/KOC (pH 5.5): 558.76
ACD/LogD (pH 7.4): 2.52
ACD/BCF (pH 7.4): 48.34
ACD/KOC (pH 7.4): 558.76
Polar Surface Area: 82 Å2
Polarizability: 49.0±0.5 10-24cm3
Surface Tension: 36.8±3.0 dyne/cm
Molar Volume: 449.9±3.0 cm3

Click to predict properties on the Chemicalize site


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