ChemSpider 2D Image | {[18-(1-Decyn-1-yl)-6,7,9,10,18,19-hexahydro-17H-dibenzo[b,k][1,4,7,10,13]pentaoxacyclohexadecin-18-yl]oxy}acetic acid | C31H40O8

{[18-(1-Decyn-1-yl)-6,7,9,10,18,19-hexahydro-17H-dibenzo[b,k][1,4,7,10,13]pentaoxacyclohexadecin-18-yl]oxy}acetic acid

  • Molecular FormulaC31H40O8
  • Average mass540.644 Da
  • Monoisotopic mass540.272339 Da
  • ChemSpider ID8920340

More details:

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

{[18-(1-Decin-1-yl)-6,7,9,10,18,19-hexahydro-17H-dibenzo[b,k][1,4,7,10,13]pentaoxacyclohexadecin-18-yl]oxy}essigsäure [German] [ACD/IUPAC Name]
{[18-(1-Decyn-1-yl)-6,7,9,10,18,19-hexahydro-17H-dibenzo[b,k][1,4,7,10,13]pentaoxacyclohexadecin-18-yl]oxy}acetic acid [ACD/IUPAC Name]
Acetic acid, 2-[[18-(1-decyn-1-yl)-6,7,9,10,18,19-hexahydro-17H-dibenzo[b,k][1,4,7,10,13]pentaoxacyclohexadecin-18-yl]oxy]- [ACD/Index Name]
Acide {[18-(1-décyn-1-yl)-6,7,9,10,18,19-hexahydro-17H-dibenzo[b,k][1,4,7,10,13]pentaoxacyclohexadécin-18-yl]oxy}acétique [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 686.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 105.7±3.0 kJ/mol
Flash Point: 216.9±25.0 °C
Index of Refraction: 1.565
Molar Refractivity: 147.5±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 6.50
ACD/LogD (pH 5.5): 4.17
ACD/BCF (pH 5.5): 248.99
ACD/KOC (pH 5.5): 414.42
ACD/LogD (pH 7.4): 2.81
ACD/BCF (pH 7.4): 10.92
ACD/KOC (pH 7.4): 18.17
Polar Surface Area: 93 Å2
Polarizability: 58.5±0.5 10-24cm3
Surface Tension: 53.2±5.0 dyne/cm
Molar Volume: 453.0±5.0 cm3

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