ChemSpider 2D Image | {[18-(2-Phenylethyl)-6,7,9,10,18,19-hexahydro-17H-dibenzo[b,k][1,4,7,10,13]pentaoxacyclohexadecin-18-yl]oxy}acetic acid | C29H32O8

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

  • Molecular FormulaC29H32O8
  • Average mass508.560 Da
  • Monoisotopic mass508.209717 Da
  • ChemSpider ID8777094

More details:

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

{[18-(2-Phenylethyl)-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]
{[18-(2-Phenylethyl)-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]
Acetic acid, 2-[[6,7,9,10,18,19-hexahydro-18-(2-phenylethyl)-17H-dibenzo[b,k][1,4,7,10,13]pentaoxacyclohexadecin-18-yl]oxy]- [ACD/Index Name]
Acide {[18-(2-phényléthyl)-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: 1.3±0.1 g/cm3
Boiling Point: 680.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.9±3.0 kJ/mol
Flash Point: 222.5±25.0 °C
Index of Refraction: 1.603
Molar Refractivity: 137.2±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 4.35
ACD/LogD (pH 5.5): 1.71
ACD/BCF (pH 5.5): 3.41
ACD/KOC (pH 5.5): 19.23
ACD/LogD (pH 7.4): 0.36
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 93 Å2
Polarizability: 54.4±0.5 10-24cm3
Surface Tension: 57.4±5.0 dyne/cm
Molar Volume: 399.4±5.0 cm3

Click to predict properties on the Chemicalize site


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