ChemSpider 2D Image | 1,12-Dodecanediyl bis(3,4,5-trihydroxybenzoate) | C26H34O10

1,12-Dodecanediyl bis(3,4,5-trihydroxybenzoate)

  • Molecular FormulaC26H34O10
  • Average mass506.542 Da
  • Monoisotopic mass506.215210 Da
  • ChemSpider ID23330995

More details:






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

1,12-Dodecandiyl-bis(3,4,5-trihydroxybenzoat) [German] [ACD/IUPAC Name]
1,12-Dodecanediyl bis(3,4,5-trihydroxybenzoate) [ACD/IUPAC Name]
Benzoic acid, 3,4,5-trihydroxy-, 1,12-dodecanediyl ester [ACD/Index Name]
Bis(3,4,5-trihydroxybenzoate) de 1,12-dodécanediyle [French] [ACD/IUPAC Name]
1063201-15-9 [RN]
12-(3,4,5-Trihydroxybenzoate dodecan-1-yl)-3,4,5-trihydroxybenzoate
12-(3,4,5-trihydroxybenzoyloxy)dodecyl 3,4,5-trihydroxybenzoate
dodecane-1,12-diyl bis(3,4,5-trihydroxybenzoate)

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 765.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 115.3±3.0 kJ/mol
Flash Point: 253.6±25.0 °C
Index of Refraction: 1.606
Molar Refractivity: 131.6±0.3 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 4
ACD/LogP: 7.63
ACD/LogD (pH 5.5): 5.93
ACD/BCF (pH 5.5): 18699.54
ACD/KOC (pH 5.5): 39643.69
ACD/LogD (pH 7.4): 5.65
ACD/BCF (pH 7.4): 9861.47
ACD/KOC (pH 7.4): 20906.67
Polar Surface Area: 174 Å2
Polarizability: 52.2±0.5 10-24cm3
Surface Tension: 64.1±3.0 dyne/cm
Molar Volume: 381.8±3.0 cm3

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