ChemSpider 2D Image | [(18-Undecyl-6,7,9,10,18,19-hexahydro-17H-dibenzo[b,k][1,4,7,10,13]pentaoxacyclohexadecin-18-yl)oxy]acetic acid | C32H46O8

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

  • Molecular FormulaC32H46O8
  • Average mass558.703 Da
  • Monoisotopic mass558.319275 Da
  • ChemSpider ID9975626

More details:

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

[(18-Undecyl-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-Undecyl-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-undecyl-17H-dibenzo[b,k][1,4,7,10,13]pentaoxacyclohexadecin-18-yl)oxy]- [ACD/Index Name]
Acide [(18-undécyl-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: 1.1±0.1 g/cm3
Boiling Point: 683.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 105.3±3.0 kJ/mol
Flash Point: 211.6±25.0 °C
Index of Refraction: 1.547
Molar Refractivity: 154.1±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 7.58
ACD/LogD (pH 5.5): 5.66
ACD/BCF (pH 5.5): 3375.19
ACD/KOC (pH 5.5): 2677.91
ACD/LogD (pH 7.4): 4.30
ACD/BCF (pH 7.4): 148.00
ACD/KOC (pH 7.4): 117.43
Polar Surface Area: 93 Å2
Polarizability: 61.1±0.5 10-24cm3
Surface Tension: 49.2±5.0 dyne/cm
Molar Volume: 485.8±5.0 cm3

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