ChemSpider 2D Image | {[18-(4-Isopropenylphenyl)-6,7,9,10,18,19-hexahydro-17H-dibenzo[b,k][1,4,7,10,13]pentaoxacyclohexadecin-18-yl]oxy}acetic acid | C30H32O8

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

  • Molecular FormulaC30H32O8
  • Average mass520.570 Da
  • Monoisotopic mass520.209717 Da
  • ChemSpider ID8777411

More details:

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

{[18-(4-Isopropenylphenyl)-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-(4-Isopropenylphenyl)-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-[4-(1-methylethenyl)phenyl]-17H-dibenzo[b,k][1,4,7,10,13]pentaoxacyclohexadecin-18-yl]oxy]- [ACD/Index Name]
Acide {[18-(4-isopropénylphényl)-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: 696.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.1±3.0 kJ/mol
Flash Point: 226.6±25.0 °C
Index of Refraction: 1.605
Molar Refractivity: 141.3±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 4.29
ACD/LogD (pH 5.5): 2.13
ACD/BCF (pH 5.5): 7.04
ACD/KOC (pH 5.5): 32.29
ACD/LogD (pH 7.4): 0.77
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.42
Polar Surface Area: 93 Å2
Polarizability: 56.0±0.5 10-24cm3
Surface Tension: 56.2±5.0 dyne/cm
Molar Volume: 410.2±5.0 cm3

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