ChemSpider 2D Image | 5-Decyl-2-(1,4,7,10,13,16,19,22-octaoxacyclotetracosan-2-ylmethoxy)benzoic acid | C34H58O11

5-Decyl-2-(1,4,7,10,13,16,19,22-octaoxacyclotetracosan-2-ylmethoxy)benzoic acid

  • Molecular FormulaC34H58O11
  • Average mass642.818 Da
  • Monoisotopic mass642.397888 Da
  • ChemSpider ID10537692

More details:

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

5-Decyl-2-(1,4,7,10,13,16,19,22-octaoxacyclotetracosan-2-ylmethoxy)benzoic acid [ACD/IUPAC Name]
Benzoic acid, 5-decyl-2-(1,4,7,10,13,16,19,22-octaoxacyclotetracos-2-ylmethoxy)- [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: 758.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 115.9±3.0 kJ/mol
Flash Point: 227.7±26.4 °C
Index of Refraction: 1.463
Molar Refractivity: 171.1±0.3 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 5.35
ACD/LogD (pH 5.5): 4.03
ACD/BCF (pH 5.5): 229.77
ACD/KOC (pH 5.5): 474.38
ACD/LogD (pH 7.4): 2.91
ACD/BCF (pH 7.4): 17.41
ACD/KOC (pH 7.4): 35.94
Polar Surface Area: 120 Å2
Polarizability: 67.8±0.5 10-24cm3
Surface Tension: 36.9±3.0 dyne/cm
Molar Volume: 620.9±3.0 cm3

Click to predict properties on the Chemicalize site


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